 | | 4OB | | Name: | N-hydroxy-N'-phenyl-3-(trifluoromethyl)benzenecarboximidamide | | Formula: | C14 H11 F3 N2 O | | SMILES: | FC(c1cccc(c1)/C(NO)=Nc2ccccc2)(F)F | | InChi: | InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-4-5-10(9-11)13(19-20)18-12-7-2-1-3-8-12/h1-9,20H,(H,18,19) | | Definition date: | 2015-04-27 | | Last modified: | 2015-07-31 | | Release date: | 2015-08-05 | | Identifier: | N-hydroxy-N'-phenyl-3-(trifluoromethyl)benzenecarboximidamide |
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 | | 4OD | | Name: | N'-(3-bromophenyl)-4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidamide | | Formula: | C14 H9 Br F4 N2 O | | SMILES: | FC(c1c(ccc(c1)/C(NO)=Nc2cc(Br)ccc2)F)(F)F | | InChi: | InChI=1S/C14H9BrF4N2O/c15-9-2-1-3-10(7-9)20-13(21-22)8-4-5-12(16)11(6-8)14(17,18)19/h1-7,22H,(H,20,21) | | Definition date: | 2015-04-27 | | Last modified: | 2015-07-31 | | Release date: | 2015-08-05 | | Identifier: | N'-(3-bromophenyl)-4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidamide |
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 | | 4OE | | Name: | 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole | | Formula: | C16 H9 F5 N2 | | SMILES: | FC(c1c(ccc(c1)c2cnnc2c3ccc(F)cc3)F)(F)F | | InChi: | InChI=1S/C16H9F5N2/c17-11-4-1-9(2-5-11)15-12(8-22-23-15)10-3-6-14(18)13(7-10)16(19,20)21/h1-8H,(H,22,23) | | Definition date: | 2015-04-27 | | Last modified: | 2015-07-31 | | Release date: | 2015-08-05 | | Identifier: | 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole |
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 | | 4OL | | Name: | N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] | | Formula: | C34 H38 N8 O12 | | SMILES: | C(=O)(C=1N(C(C=CC=1)=O)O)NCCCN(C(C2=CC=CC(=O)N2O)=O)CCCCN(C(=O)C=3N(C(C=CC=3)=O)O)CCCNC(=O)C4=CC=CC(N4O)=O | | InChi: | InChI=1S/C34H38N8O12/c43-27-13-3-9-23(39(27)51)31(47)35-17-7-21-37(33(49)25-11-5-15-29(45)41(25)53)19-1-2-20-38(34(50)26-12-6-16-30(46)42(26)54)22-8-18-36-32(48)24-10-4-14-28(44)40(24)52/h3-6,9-16,51-54H,1-2,7-8,17-22H2,(H,35,47)(H,36,48) | | Definition date: | 2015-04-28 | | Last modified: | 2015-07-31 | | Release date: | 2015-08-05 | | Identifier: | N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] |
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 | | 4OZ | | Name: | methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate | | Formula: | C12 H13 N O7 | | SMILES: | COC(C(COC=O)NC(c1c(c(ccc1)O)O)=O)=O | | InChi: | InChI=1S/C12H13NO7/c1-19-12(18)8(5-20-6-14)13-11(17)7-3-2-4-9(15)10(7)16/h2-4,6,8,15-16H,5H2,1H3,(H,13,17)/t8-/m0/s1 | | Definition date: | 2015-04-29 | | Last modified: | 2015-07-31 | | Release date: | 2015-08-05 | | Identifier: | methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate |
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 | | IXV | | Name: | N-benzyl-4-phenyl-2-[(N-phenyl-beta-alanyl)amino]thiophene-3-carboxamide | | Formula: | C27 H25 N3 O2 S | | SMILES: | O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CCNc4ccccc4 | | InChi: | InChI=1S/C27H25N3O2S/c31-24(16-17-28-22-14-8-3-9-15-22)30-27-25(23(19-33-27)21-12-6-2-7-13-21)26(32)29-18-20-10-4-1-5-11-20/h1-15,19,28H,16-18H2,(H,29,32)(H,30,31) | | Definition date: | 2014-09-29 | | Last modified: | 2015-07-31 | | Release date: | 2015-08-05 | | Identifier: | N-benzyl-4-phenyl-2-[(N-phenyl-beta-alanyl)amino]thiophene-3-carboxamide |
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 | | IXY | | Name: | N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | | Formula: | C28 H30 N4 O2 S | | SMILES: | O=C(c1c4c(sc1NC(=O)CNCCc3c2ccccc2nc3)CCCC4)NCc5ccccc5 | | InChi: | InChI=1S/C28H30N4O2S/c33-25(18-29-15-14-20-17-30-23-12-6-4-10-21(20)23)32-28-26(22-11-5-7-13-24(22)35-28)27(34)31-16-19-8-2-1-3-9-19/h1-4,6,8-10,12,17,29-30H,5,7,11,13-16,18H2,(H,31,34)(H,32,33) | | Definition date: | 2014-09-29 | | Last modified: | 2015-07-31 | | Release date: | 2015-08-05 | | Identifier: | N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
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 | | IXZ | | Name: | N-benzyl-2-[(N-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide | | Formula: | C27 H25 N3 O2 S | | SMILES: | O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CNCc4ccccc4 | | InChi: | InChI=1S/C27H25N3O2S/c31-24(18-28-16-20-10-4-1-5-11-20)30-27-25(23(19-33-27)22-14-8-3-9-15-22)26(32)29-17-21-12-6-2-7-13-21/h1-15,19,28H,16-18H2,(H,29,32)(H,30,31) | | Definition date: | 2014-09-25 | | Last modified: | 2015-07-31 | | Release date: | 2015-08-05 | | Identifier: | N-benzyl-2-[(N-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide |
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 | | Y52 | | Name: | methyl (2E)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate | | Formula: | C20 H19 N O4 S2 | | SMILES: | O=C(OC)C(=COC)c1ccccc1CSc2nc3cc(OC)ccc3s2 | | InChi: | InChI=1S/C20H19NO4S2/c1-23-11-16(19(22)25-3)15-7-5-4-6-13(15)12-26-20-21-17-10-14(24-2)8-9-18(17)27-20/h4-11H,12H2,1-3H3/b16-11+ | | Definition date: | 2014-07-21 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | methyl (2E)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate |
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 | | XS6 | | Name: | 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide | | Formula: | C9 H21 N3 O2 | | SMILES: | C(CCNCCCCCC(NO)=O)N | | InChi: | InChI=1S/C9H21N3O2/c10-6-4-8-11-7-3-1-2-5-9(13)12-14/h11,14H,1-8,10H2,(H,12,13) | | Definition date: | 2015-05-19 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide |
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 | | U1T | | Name: | 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one | | Formula: | C21 H22 N2 O | | SMILES: | O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCCC3)C | | InChi: | InChI=1S/C21H22N2O/c1-15-5-4-6-18-19(15)13-20(22-21(18)24)17-9-7-16(8-10-17)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,24) | | Definition date: | 2014-08-08 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one |
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 | | 7XA | | Name: | 7-amino-N-hydroxyheptanamide | | Formula: | C7 H16 N2 O2 | | SMILES: | ONC(CCCCCCN)=O | | InChi: | InChI=1S/C7H16N2O2/c8-6-4-2-1-3-5-7(10)9-11/h11H,1-6,8H2,(H,9,10) | | Definition date: | 2015-05-19 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 7-amino-N-hydroxyheptanamide |
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 | | M5F | | Name: | 1-[(2S)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione | | Formula: | C7 H11 F N4 O2 | | SMILES: | FC1=CN(C(=O)NC1=O)CC(N)CN | | InChi: | InChI=1S/C7H11FN4O2/c8-5-3-12(2-4(10)1-9)7(14)11-6(5)13/h3-4H,1-2,9-10H2,(H,11,13,14)/t4-/m0/s1 | | Definition date: | 2014-07-18 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 1-[(2S)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione |
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 | | 423 | | Name: | (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid | | Formula: | C48 H75 N13 O27 | | SMILES: | O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)OCc2nnn(c2)CCN(CCn3nnc(c3)COC4(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)C(=O)O)CCn5nnc(c5)COC6(OC(C(NC(=O)C)C(O)C6)C(O)C(O)CO)C(=O)O | | InChi: | InChI=1S/C48H75N13O27/c1-22(65)49-34-28(68)10-46(43(77)78,86-40(34)37(74)31(71)16-62)83-19-25-13-59(55-52-25)7-4-58(5-8-60-14-26(53-56-60)20-84-47(44(79)80)11-29(69)35(50-23(2)66)41(87-47)38(75)32(72)17-63)6-9-61-15-27(54-57-61)21-85-48(45(81)82)12-30(70)36(51-24(3)67)42(88-48)39(76)33(73)18-64/h13-15,28-42,62-64,68-76H,4-12,16-21H2,1-3H3,(H,49,65)(H,50,66)(H,51,67)(H,77,78)(H,79,80)(H,81,82)/t28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,46+,47+,48+/m0/s1 | | Definition date: | 2015-01-19 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid |
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 | | 425 | | Name: | 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid | | Formula: | C51 H81 N13 O27 | | SMILES: | O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)OCCc2nnn(c2)CCN(CCn3nnc(c3)CCOC4(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)C(=O)O)CCn5nnc(c5)CCOC6(OC(C(NC(=O)C)C(O)C6)C(O)C(O)CO)C(=O)O | | InChi: | InChI=1S/C51H81N13O27/c1-25(68)52-37-31(71)16-49(46(80)81,89-43(37)40(77)34(74)22-65)86-13-4-28-19-62(58-55-28)10-7-61(8-11-63-20-29(56-59-63)5-14-87-50(47(82)83)17-32(72)38(53-26(2)69)44(90-50)41(78)35(75)23-66)9-12-64-21-30(57-60-64)6-15-88-51(48(84)85)18-33(73)39(54-27(3)70)45(91-51)42(79)36(76)24-67/h19-21,31-45,65-67,71-79H,4-18,22-24H2,1-3H3,(H,52,68)(H,53,69)(H,54,70)(H,80,81)(H,82,83)(H,84,85)/t31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+,50+,51+/m0/s1 | | Definition date: | 2015-01-19 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid |
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 | | NKI | | Name: | (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one | | Formula: | C14 H11 Cl N2 O | | SMILES: | Clc1ccc(cc1)[CH]2NC(=O)c3ccccc3N2 | | InChi: | InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)/t13-/m0/s1 | | Definition date: | 2015-03-05 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one |
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 | | 4RA | | Name: | [(2R,3R,4R,5S,6R)-3-acetamido-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | Formula: | C25 H36 N5 O20 P3 | | SMILES: | O=C1N(C=CC(N1)=O)C2OC(C(C2O)O)COP(O)(=O)OP(O)(=O)OC3C(NC(C)=O)C(O)C(C(O3)C)N=Cc4c(O)c(C)ncc4COP(O)(O)=O | | InChi: | InChI=1S/C25H36N5O20P3/c1-10-19(33)14(13(6-26-10)8-45-51(38,39)40)7-27-17-11(2)47-24(18(21(17)35)28-12(3)31)49-53(43,44)50-52(41,42)46-9-15-20(34)22(36)23(48-15)30-5-4-16(32)29-25(30)37/h4-7,11,15,17-18,20-24,33-36H,8-9H2,1-3H3,(H,28,31)(H,41,42)(H,43,44)(H,29,32,37)(H2,38,39,40)/b27-7+/t11-,15-,17-,18-,20-,21+,22-,23-,24-/m1/s1 | | Definition date: | 2015-05-14 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | (2R,3R,4R,5S,6R)-3-(acetylamino)-4-hydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | 4TH | | Name: | (S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one | | Formula: | C33 H34 Cl N3 O3 | | SMILES: | c1(Cl)ccc(cc1)C4c5c(CC(N4c3ccc(N(Cc2ccncc2)C)cc3)=O)cc(c(c5)OC(C)CC)OC | | InChi: | InChI=1S/C33H34ClN3O3/c1-5-22(2)40-31-20-29-25(18-30(31)39-4)19-32(38)37(33(29)24-6-8-26(34)9-7-24)28-12-10-27(11-13-28)36(3)21-23-14-16-35-17-15-23/h6-18,20,22,33H,5,19,21H2,1-4H3/t22-,33+/m1/s1 | | Definition date: | 2015-05-22 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | (1S)-7-[(2R)-butan-2-yloxy]-1-(4-chlorophenyl)-6-methoxy-2-{4-[methyl(pyridin-4-ylmethyl)amino]phenyl}-1,4-dihydroisoquinolin-3(2H)-one |
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 | | 4TJ | | Name: | 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate | | Formula: | C50 H66 N8 O12 S2 | | SMILES: | N1(C(c6c(N(C)C1=O)nc(CCCC(NCCOCCOCCNC(=O)CCCCCN2/C(C(c3c2cc(cc3)S(O)(=O)=O)(C)C)=CC=CC=CC4=[N+](c5ccc(cc5C4(C)C)S(=O)([O-])=O)CC)=O)n6)=O)C | | InChi: | InChI=1S/C50H66N8O12S2/c1-8-57-38-24-22-34(71(63,64)65)32-37(38)50(4,5)40(57)16-11-9-12-17-41-49(2,3)36-23-21-35(72(66,67)68)33-39(36)58(41)27-14-10-13-19-43(59)51-25-28-69-30-31-70-29-26-52-44(60)20-15-18-42-53-45-46(54-42)55(6)48(62)56(7)47(45)61/h9,11-12,16-17,21-24,32-33H,8,10,13-15,18-20,25-31H2,1-7H3,(H4-,51,52,53,54,59,60,61,63,64,65,66,67,68) | | Definition date: | 2015-05-22 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate |
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 | | 4WR | | Name: | 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione | | Formula: | C7 H11 F N4 O2 | | SMILES: | C1(N(C=C(C(N1)=O)F)CC(N)CN)=O | | InChi: | InChI=1S/C7H11FN4O2/c8-5-3-12(2-4(10)1-9)7(14)11-6(5)13/h3-4H,1-2,9-10H2,(H,11,13,14)/t4-/m1/s1 | | Definition date: | 2015-06-14 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione |
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 | | 4XO | | Name: | 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile | | Formula: | C21 H16 N8 | | SMILES: | c1c(cn4c1cc(c(Nc2ncnc(n2)Nc3ccc(C#N)cc3)c4C)C)C#N | | InChi: | InChI=1S/C21H16N8/c1-13-7-18-8-16(10-23)11-29(18)14(2)19(13)27-21-25-12-24-20(28-21)26-17-5-3-15(9-22)4-6-17/h3-8,11-12H,1-2H3,(H2,24,25,26,27,28) | | Definition date: | 2015-06-17 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile |
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 | | 5XA | | Name: | 5-amino-N-hydroxypentanamide | | Formula: | C5 H12 N2 O2 | | SMILES: | ONC(=O)CCCCN | | InChi: | InChI=1S/C5H12N2O2/c6-4-2-1-3-5(8)7-9/h9H,1-4,6H2,(H,7,8) | | Definition date: | 2015-05-19 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 5-amino-N-hydroxypentanamide |
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 | | 639 | | Name: | 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile | | Formula: | C23 H17 N7 | | SMILES: | c1(ccc(cc1)C#N)Nc4ncnc(Nc3c(c2c(cc(cc2)C#N)cc3C)C)n4 | | InChi: | InChI=1S/C23H17N7/c1-14-9-18-10-17(12-25)5-8-20(18)15(2)21(14)29-23-27-13-26-22(30-23)28-19-6-3-16(11-24)4-7-19/h3-10,13H,1-2H3,(H2,26,27,28,29,30) | | Definition date: | 2015-06-17 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylnaphthalene-2-carbonitrile |
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 | | PUS | | Name: | (E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine | | Formula: | C12 H17 N4 O9 P | | SMILES: | N(/C(CONC(N)=O)C(O)=O)=Cc1c(c(ncc1COP(O)(=O)O)C)O | | InChi: | InChI=1S/C12H17N4O9P/c1-6-10(17)8(7(2-14-6)4-25-26(21,22)23)3-15-9(11(18)19)5-24-16-12(13)20/h2-3,9,17H,4-5H2,1H3,(H,18,19)(H3,13,16,20)(H2,21,22,23)/b15-3+/t9-/m0/s1 | | Definition date: | 2015-03-18 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | (E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine |
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 | | CDJ | | Name: | 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one | | Formula: | C15 H11 Cl N2 O | | SMILES: | Clc3ccc(C2=Cc1c(cccc1N)C(=O)N2)cc3 | | InChi: | InChI=1S/C15H11ClN2O/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,17H2,(H,18,19) | | Definition date: | 2014-08-07 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one |
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