 | | 87A | | Name: | N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide | | Formula: | C49 H58 F N9 O7 S | | SMILES: | FC1(CC1)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1OCCOc1ccc(CN2CCN(CC2)c2cc(nnc2N)c2ccccc2O)cc1)c1scnc1C)C(C)(C)C | | InChi: | InChI=1S/C49H58FN9O7S/c1-30-42(67-29-53-30)32-11-12-33(26-52-45(62)39-24-34(60)28-59(39)46(63)43(48(2,3)4)54-47(64)49(50)15-16-49)41(23-32)66-22-21-65-35-13-9-31(10-14-35)27-57-17-19-58(20-18-57)38-25-37(55-56-44(38)51)36-7-5-6-8-40(36)61/h5-14,23,25,29,34,39,43,60-61H,15-22,24,26-28H2,1-4H3,(H2,51,56)(H,52,62)(H,54,64)/t34-,39+,43-/m1/s1 | | Synonyms: | ACBi1 | | Definition date: | 2021-09-09 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide |
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 | | 8AI | | Name: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine | | Formula: | C18 H19 F N2 | | SMILES: | Fc1ccc(CN2C3=C(CCC3)C(=N)C4=C2CCC4)cc1 | | InChi: | InChI=1S/C18H19FN2/c19-13-9-7-12(8-10-13)11-21-16-5-1-3-14(16)18(20)15-4-2-6-17(15)21/h7-10,20H,1-6,11H2 | | Definition date: | 2021-12-01 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine |
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 | | L4O | | Name: | tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | | Formula: | C10 H18 N2 O2 | | SMILES: | CC(C)(C)OC(=O)N1CC2CC1CN2 | | InChi: | InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1 | | Definition date: | 2022-02-28 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
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 | | L4X | | Name: | Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide | | Formula: | C31 H36 N4 O3 | | SMILES: | CNC(=O)C(Cc1ccc(C)cc1)NC(=O)C(C/C=C/c1ccccc1)NC(=O)CNCc1ccccc1 | | InChi: | InChI=1S/C31H36N4O3/c1-23-16-18-25(19-17-23)20-28(30(37)32-2)35-31(38)27(15-9-14-24-10-5-3-6-11-24)34-29(36)22-33-21-26-12-7-4-8-13-26/h3-14,16-19,27-28,33H,15,20-22H2,1-2H3,(H,32,37)(H,34,36)(H,35,38)/b14-9+/t27-,28+/m1/s1 | | Definition date: | 2022-02-28 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide |
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 | | L5L | | Name: | (4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine | | Formula: | C14 H15 N O S | | SMILES: | COc1ccc(cc1)C1NCCc2sccc21 | | InChi: | InChI=1S/C14H15NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3/t14-/m1/s1 | | Definition date: | 2022-02-28 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine |
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 | | L5X | | Name: | 3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol | | Formula: | C10 H12 N2 O S | | SMILES: | CC1CN=C(Nc2cc(O)ccc2)S1 | | InChi: | InChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1 | | Definition date: | 2022-02-28 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | 3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol |
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 | | L6A | | Name: | 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide | | Formula: | C16 H14 N4 O2 | | SMILES: | NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3 | | InChi: | InChI=1S/C16H14N4O2/c17-15-13-5-12(16(18)22)11(6-14(13)19-8-20-15)10-3-1-2-9(4-10)7-21/h1-6,8,21H,7H2,(H2,18,22)(H2,17,19,20) | | Definition date: | 2022-06-20 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide |
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 | | L6F | | Name: | (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine | | Formula: | C15 H16 N2 | | SMILES: | Nc1cccc2c1CCNC2c1ccccc1 | | InChi: | InChI=1S/C15H16N2/c16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-8,15,17H,9-10,16H2/t15-/m1/s1 | | Definition date: | 2022-02-28 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine |
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 | | L6O | | Name: | (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine | | Formula: | C10 H11 F N2 S | | SMILES: | CC1CN=C(Nc2ccc(F)cc2)S1 | | InChi: | InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1 | | Definition date: | 2022-02-28 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine |
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 | | L6U | | Name: | (2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide | | Formula: | C28 H34 N4 O5 S | | SMILES: | O=C(NC(c1cccs1)C(=O)NC(CCc1ccccc1)C(=O)NC)CNCc1ccc(OC)cc1OC | | InChi: | InChI=1S/C28H34N4O5S/c1-29-27(34)22(14-11-19-8-5-4-6-9-19)31-28(35)26(24-10-7-15-38-24)32-25(33)18-30-17-20-12-13-21(36-2)16-23(20)37-3/h4-10,12-13,15-16,22,26,30H,11,14,17-18H2,1-3H3,(H,29,34)(H,31,35)(H,32,33)/t22-,26+/m0/s1 | | Definition date: | 2022-02-28 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide |
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 | | L73 | | Name: | N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide | | Formula: | C30 H44 N4 O4 | | SMILES: | COc1cc(CC(NC(=O)C(Cc2ccc(cc2)C(C)(C)C)NC(=O)CNCCCC)C(=O)NC)ccc1 | | InChi: | InChI=1S/C30H44N4O4/c1-7-8-16-32-20-27(35)33-26(18-21-12-14-23(15-13-21)30(2,3)4)29(37)34-25(28(36)31-5)19-22-10-9-11-24(17-22)38-6/h9-15,17,25-26,32H,7-8,16,18-20H2,1-6H3,(H,31,36)(H,33,35)(H,34,37)/t25-,26+/m0/s1 | | Definition date: | 2022-02-28 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide |
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 | | L8K | | Name: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one | | Formula: | C19 H24 N2 O S2 | | SMILES: | CC(C)(C)C(=O)CSc1nc2c(CCc3csc(CCC)c23)cn1 | | InChi: | InChI=1S/C19H24N2OS2/c1-5-6-14-16-13(10-23-14)8-7-12-9-20-18(21-17(12)16)24-11-15(22)19(2,3)4/h9-10H,5-8,11H2,1-4H3 | | Definition date: | 2022-03-01 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one |
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 | | L8R | | Name: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one | | Formula: | C19 H24 N2 O S2 | | SMILES: | CC(C)(C)C(=O)CSc1ncc2CCc3scc(CCC)c3c2n1 | | InChi: | InChI=1S/C19H24N2OS2/c1-5-6-13-10-23-14-8-7-12-9-20-18(21-17(12)16(13)14)24-11-15(22)19(2,3)4/h9-10H,5-8,11H2,1-4H3 | | Definition date: | 2022-03-01 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one |
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 | | L9E | | Name: | N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide | | Formula: | C21 H25 F N4 O2 | | SMILES: | CN(CCCN)C(=O)c1cccc(N[CH]2CCN(C2=O)c3ccccc3F)c1 | | InChi: | InChI=1S/C21H25FN4O2/c1-25(12-5-11-23)20(27)15-6-4-7-16(14-15)24-18-10-13-26(21(18)28)19-9-3-2-8-17(19)22/h2-4,6-9,14,18,24H,5,10-13,23H2,1H3/t18-/m0/s1 | | Synonyms: | (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide | | Definition date: | 2022-06-27 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | ~{N}-(3-azanylpropyl)-3-[[(3~{S})-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-~{N}-methyl-benzamide |
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 | | LU9 | | Name: | [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate | | Formula: | C93 H164 N2 O39 P2 | | SMILES: | CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH](CO[CH]2O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH](O[P]([O-])([O-])=O)[CH](OC(=O)CCOC(=O)CCCCCCCC)[CH]2NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[CH](O[P]([O-])([O-])=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCC | | InChi: | InChI=1S/C93H168N2O39P2/c1-6-11-16-21-26-30-34-38-43-48-64(99)55-77(108)129-86-78(94-72(103)54-63(98)47-42-37-33-29-24-19-14-9-4)89(134-136(119,120)121)126-70(82(86)111)61-123-88-79(95-73(104)56-65(49-44-39-35-31-27-22-17-12-7-2)125-75(106)51-46-41-36-32-28-23-18-13-8-3)87(128-76(107)52-53-122-74(105)50-45-40-25-20-15-10-5)85(133-135(116,117)118)71(127-88)62-124-92(90(112)113)58-69(81(110)84(131-92)68(102)60-97)130-93(91(114)115)57-66(100)80(109)83(132-93)67(101)59-96/h63-71,78-89,96-102,109-111H,6-62H2,1-5H3,(H,94,103)(H,95,104)(H,112,113)(H,114,115)(H2,116,117,118)(H2,119,120,121)/p-4/t63-,64+,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,92-,93-/m1/s1 | | Synonyms: | LIPOPOLYSACCHARIDE | | Definition date: | 2022-07-12 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-4-[(3~{S})-3-oxidanyltetradecanoyl]oxy-5-[[(3~{R})-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate |
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 | | 1LT | | Name: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide | | Formula: | C19 H22 F3 N5 O2 S | | SMILES: | O=C(Nc1nc(c(s1)c2ccnc(c2)C(C)(C)C(F)(F)F)C)N3C(C(=O)N)CCC3 | | InChi: | InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1 | | Synonyms: | Alpelisib | | Definition date: | 2013-03-22 | | Last modified: | 2022-09-30 | | Release date: | 2014-04-02 | | Identifier: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide |
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 | | MF6 | | Name: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione | | Formula: | C15 H21 N5 O13 P2 | | SMILES: | Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC1C2O)C(O)C3O | | InChi: | InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11-9(22)6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)10(23)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 | | Synonyms: | 1'-2' gcADPR | | Definition date: | 2022-03-16 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione |
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 | | 7IV | | Name: | ~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide | | Formula: | C15 H14 Cl N O2 | | SMILES: | Clc1ccc(NC(=O)COCc2ccccc2)cc1 | | InChi: | InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18) | | Definition date: | 2021-10-07 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | ~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide |
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 | | 7IY | | Name: | ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide | | Formula: | C9 H11 Cl N2 O2 | | SMILES: | COCC(=O)Nc1ccc(Cl)c(N)c1 | | InChi: | InChI=1S/C9H11ClN2O2/c1-14-5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3,(H,12,13) | | Definition date: | 2021-10-07 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide |
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 | | MW9 | | Name: | (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate | | Formula: | C42 H81 O10 P | | SMILES: | O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCC/C=CCCCCCCCC | | InChi: | InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18-/t39-,40+/m0/s1 | | Synonyms: | 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) | | Definition date: | 2021-10-08 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate |
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 | | 9VI | | Name: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide | | Formula: | C34 H27 Cl F5 N9 O4 S | | SMILES: | CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2cccnc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2C=CCCc21)C(F)(F)F | | InChi: | InChI=1S/C34H27ClF5N9O4S/c1-47-28-25(10-9-22(35)27(28)31(45-47)46-54(2,52)53)49-32(43-30-21(33(49)51)7-5-11-41-30)23(14-17-12-18(36)15-19(37)13-17)42-26(50)16-48-24-8-4-3-6-20(24)29(44-48)34(38,39)40/h3,5-7,9-13,15,23H,4,8,14,16H2,1-2H3,(H,42,50)(H,45,46)/t23-/m0/s1 | | Definition date: | 2021-10-29 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide |
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 | | 9WW | | Name: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide | | Formula: | C34 H27 Cl F4 N8 O4 S | | SMILES: | CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2ccccc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)CN1NC(=C2C=CC=C21)C(F)F | | InChi: | InChI=1S/C34H27ClF4N8O4S/c1-45-30-26(11-10-22(35)28(30)32(43-45)44-52(2,50)51)47-33(41-23-8-4-3-6-20(23)34(47)49)24(14-17-12-18(36)15-19(37)13-17)40-27(48)16-46-25-9-5-7-21(25)29(42-46)31(38)39/h3-13,15,24,31,42H,14,16H2,1-2H3,(H,40,48)(H,43,44)/t24-/m0/s1 | | Definition date: | 2021-10-29 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide |
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 | | 99W | | Name: | (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide | | Formula: | C21 H28 F3 N5 O3 | | SMILES: | Fc1cc(F)cc(F)c1NCC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N | | InChi: | InChI=1S/C21H28F3N5O3/c1-11(2)5-17(21(32)28-14(9-25)6-12-3-4-26-20(12)31)29-18(30)10-27-19-15(23)7-13(22)8-16(19)24/h7-9,11-12,14,17,25,27H,3-6,10H2,1-2H3,(H,26,31)(H,28,32)(H,29,30)/b25-9-/t12-,14-,17-/m0/s1 | | Synonyms: | N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Definition date: | 2021-10-06 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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 | | 9A9 | | Name: | N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide | | Formula: | C14 H21 N3 O3 | | SMILES: | O=C(NCCN(C)CCCC(=O)NO)c1ccccc1 | | InChi: | InChI=1S/C14H21N3O3/c1-17(10-5-8-13(18)16-20)11-9-15-14(19)12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,19)(H,16,18) | | Definition date: | 2021-10-06 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide |
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 | | 9BI | | Name: | 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide | | Formula: | C14 H21 N3 O3 | | SMILES: | O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO | | InChi: | InChI=1S/C14H21N3O3/c1-17(10-5-8-14(19)16-20)11-9-13(18)15-12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,18)(H,16,19) | | Definition date: | 2021-10-06 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide |
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