 | | L6L | | Name: | 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one | | Formula: | C19 H27 F3 N2 O2 S2 | | SMILES: | CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2cccc(c2)C(F)(F)F | | InChi: | InChI=1S/C19H27F3N2O2S2/c1-23(2)11-13-28-27-12-6-17(25)24-9-7-18(26,8-10-24)15-4-3-5-16(14-15)19(20,21)22/h3-5,14,26H,6-13H2,1-2H3 | | Definition date: | 2022-06-20 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one |
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 | | KOF | | Name: | beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate | | Formula: | C10 H21 O12 P | | SMILES: | OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O | | InChi: | InChI=1S/C10H21O12P/c11-1-6-8(15)9(16)10(22-6)20-2-4(12)7(14)5(13)3-21-23(17,18)19/h4-16H,1-3H2,(H2,17,18,19)/t4-,5+,6+,7-,8+,9+,10+/m0/s1 | | Synonyms: | (2R,3S,4S)-5-(((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,3,4-trihydroxypentyl hydrogen phosphate | | Definition date: | 2022-05-31 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [(2~{R},3~{S},4~{S})-5-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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 | | LKV | | Name: | (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid | | Formula: | C16 H20 N2 O4 | | SMILES: | CC(C)[CH](N1Cc2ccccc2C1=O)C(=O)N[CH](C)C(O)=O | | InChi: | InChI=1S/C16H20N2O4/c1-9(2)13(14(19)17-10(3)16(21)22)18-8-11-6-4-5-7-12(11)15(18)20/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)(H,21,22)/t10-,13-/m0/s1 | | Definition date: | 2022-07-06 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid |
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 | | LL6 | | Name: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid | | Formula: | C20 H20 N2 O4 | | SMILES: | C[CH](NC(=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=O | | InChi: | InChI=1S/C20H20N2O4/c1-13(20(25)26)21-18(23)17(11-14-7-3-2-4-8-14)22-12-15-9-5-6-10-16(15)19(22)24/h2-10,13,17H,11-12H2,1H3,(H,21,23)(H,25,26)/t13-,17-/m0/s1 | | Definition date: | 2022-07-06 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid |
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 | | NQR | | Name: | (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone | | Formula: | C18 H18 N2 O2 | | SMILES: | Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1 | | InChi: | InChI=1S/C18H18N2O2/c1-12-14-11-16(18(21)20-9-5-2-6-10-20)22-17(14)13-7-3-4-8-15(13)19-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3 | | Definition date: | 2022-04-07 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone |
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 | | LLV | | Name: | (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid | | Formula: | C28 H24 Br F N2 O5 | | SMILES: | C[CH](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4cc(Br)ccc4C3=O)C(O)=O | | InChi: | InChI=1S/C28H24BrFN2O5/c1-15(28(36)37)31-26(34)25(32-14-20-12-21(29)8-9-22(20)27(32)35)11-17-3-5-18(6-4-17)23-13-19(16(2)33)7-10-24(23)30/h3-10,12-13,15,25H,11,14H2,1-2H3,(H,31,34)(H,36,37)/t15-,25-/m0/s1 | | Definition date: | 2022-07-07 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-2-(6-bromanyl-3-oxidanylidene-1~{H}-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid |
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 | | LN2 | | Name: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid | | Formula: | C28 H25 F N2 O5 | | SMILES: | C[CH](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4ccccc4C3=O)C(O)=O | | InChi: | InChI=1S/C28H25FN2O5/c1-16(28(35)36)30-26(33)25(31-15-21-5-3-4-6-22(21)27(31)34)13-18-7-9-19(10-8-18)23-14-20(17(2)32)11-12-24(23)29/h3-12,14,16,25H,13,15H2,1-2H3,(H,30,33)(H,35,36)/t16-,25-/m0/s1 | | Definition date: | 2022-07-07 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid |
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 | | LRA | | Name: | (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one | | Formula: | C16 H11 Br O4 | | SMILES: | Oc1cccc(c1)[CH]2OC(=O)C(=C2c3ccc(Br)cc3)O | | InChi: | InChI=1S/C16H11BrO4/c17-11-6-4-9(5-7-11)13-14(19)16(20)21-15(13)10-2-1-3-12(18)8-10/h1-8,15,18-19H/t15-/m1/s1 | | Definition date: | 2022-07-11 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{R})-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2~{H}-furan-5-one |
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 | | O46 | | Name: | N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide | | Formula: | C19 H20 F N O3 | | SMILES: | O=C(NC1(CCOCC1)c1cccc(F)c1)Cc1cccc(O)c1 | | InChi: | InChI=1S/C19H20FNO3/c20-16-5-2-4-15(13-16)19(7-9-24-10-8-19)21-18(23)12-14-3-1-6-17(22)11-14/h1-6,11,13,22H,7-10,12H2,(H,21,23) | | Definition date: | 2022-04-21 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide |
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 | | O4F | | Name: | N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide | | Formula: | C16 H20 N4 O | | SMILES: | N#CC1(CC1)NC(=O)C1CCN(CC1)c1ccncc1C | | InChi: | InChI=1S/C16H20N4O/c1-12-10-18-7-2-14(12)20-8-3-13(4-9-20)15(21)19-16(11-17)5-6-16/h2,7,10,13H,3-6,8-9H2,1H3,(H,19,21) | | Definition date: | 2022-04-21 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide |
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 | | 2IV | | Name: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | | Formula: | C16 H16 F N3 O2 | | SMILES: | Fc1cccc2[nH]cc(C[CH]3NC(=O)[CH]4CCCN4C3=O)c12 | | InChi: | InChI=1S/C16H16FN3O2/c17-10-3-1-4-11-14(10)9(8-18-11)7-12-16(22)20-6-2-5-13(20)15(21)19-12/h1,3-4,8,12-13,18H,2,5-7H2,(H,19,21)/t12-,13-/m0/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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 | | OX8 | | Name: | 1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone | | Formula: | C18 H32 N4 O6 | | SMILES: | ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O | | InChi: | InChI=1S/C18H32N4O6/c23-15-7-10-18(26)22(28)14-6-2-4-12-20-16(24)8-9-17(25)21(27)13-5-1-3-11-19-15/h27-28H,1-14H2,(H,19,23)(H,20,24) | | Definition date: | 2022-09-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone |
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 | | IHT | | Name: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol | | Formula: | C40 H54 O | | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C | | InChi: | InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23,25,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 | | Synonyms: | Allobetaxanthin | | Definition date: | 2022-07-01 | | Last modified: | 2023-04-19 | | Release date: | 2023-04-12 | | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol |
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 | | II0 | | Name: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol | | Formula: | C40 H52 O2 | | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C#CC2=C(C)C[CH](O)CC2(C)C | | InChi: | InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 | | Synonyms: | Alloxanthin | | Definition date: | 2022-07-01 | | Last modified: | 2023-04-19 | | Release date: | 2023-04-12 | | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol |
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 | | II3 | | Name: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol | | Formula: | C40 H54 O2 | | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C | | InChi: | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1 | | Synonyms: | Monadoxanthin | | Definition date: | 2022-07-01 | | Last modified: | 2023-04-19 | | Release date: | 2023-04-12 | | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol |
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 | | VQ8 | | Name: | hybrid cluster | | Formula: | Fe4 O3 S2 | | SMILES: | O1[Fe]O[Fe]2O[Fe](S[Fe]1)S2 | | InChi: | InChI=1S/4Fe.3O.2S | | Definition date: | 2023-03-27 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 |
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 | | YRB | | Name: | (3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone | | Formula: | C40 H71 N7 O9 | | SMILES: | CC(C)C(O)C1C(=O)NC(CC(C)CC)C(=O)N(C)C(C)C(=O)N2CCCCC2C(=O)NC(C(O)C(C)C)C(=O)NC(C(C)CC)C(=O)N(C)C(C)C(=O)N1C | | InChi: | InChI=1S/C40H71N7O9/c1-14-23(7)20-27-39(55)44(11)26(10)38(54)47-19-17-16-18-28(47)34(50)43-30(32(48)21(3)4)35(51)42-29(24(8)15-2)40(56)45(12)25(9)37(53)46(13)31(36(52)41-27)33(49)22(5)6/h21-33,48-49H,14-20H2,1-13H3,(H,41,52)(H,42,51)(H,43,50)/t23-,24-,25-,26-,27-,28+,29+,30+,31-,32+,33+/m0/s1 | | Definition date: | 2023-02-16 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | (3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone |
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 | | VM6 | | Name: | 3-[(2E)-2-{(3Z,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]pent-3-en-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]propyl dihydrogen phosphite | | Formula: | C31 H41 N2 O5 P | | SMILES: | CC1(C)c2ccccc2N(CCCO)C1=CC=C/CC=C1N(CCCOP(=O)(O)O)c2ccccc2C1(C)C | | InChi: | InChI=1S/C31H41N2O5P/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-38-39(35,36)37/h5-6,8-11,14-19,34H,7,12-13,20-23H2,1-4H3,(H2,35,36,37)/b6-5-,28-18+,29-19+ | | Definition date: | 2022-09-01 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 3-[(2E)-2-{(3Z,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]pent-3-en-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]propyl dihydrogen phosphate |
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 | | WIB | | Name: | 4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline | | Formula: | C13 H15 Br Cl2 N2 O4 S | | SMILES: | BrC(Cl)(Cl)S(=O)(=O)c1ccc(NC2CCCCC2)c(c1)[N+]([O-])=O | | InChi: | InChI=1S/C13H15BrCl2N2O4S/c14-13(15,16)23(21,22)10-6-7-11(12(8-10)18(19)20)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2 | | Definition date: | 2022-09-12 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline |
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 | | ZIY | | Name: | plitidepsin | | Formula: | C57 H87 N7 O15 | | SMILES: | CC(=O)C(=O)N1CCCC1C(=O)N(C)C(CC(C)C)C(=O)NC1C(=O)NC(C(O)CC(=O)OC(C(C)C)C(=O)C(C)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)N(C)C(Cc2ccc(OC)cc2)C(=O)OC1C)C(C)CC | | InChi: | InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1 | | Definition date: | 2023-03-13 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 1-(2-oxopropanoyl)-L-prolyl-N-[(3S,6R,7S,10R,11S,15S,17S,20S,22S,25aS)-10-[(2S)-butan-2-yl]-11-hydroxy-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,8,13,16,18,21-heptaoxo-15-(propan-2-yl)docosahydro-15H-pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosin-7-yl]-N~2~-methyl-D-leucinamide |
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 | | IQR | | Name: | 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol | | Formula: | C17 H16 N4 O | | SMILES: | CC(C)(O)C#Cc1ccc2[nH]cc(c3ccnc(N)n3)c2c1 | | InChi: | InChI=1S/C17H16N4O/c1-17(2,22)7-5-11-3-4-14-12(9-11)13(10-20-14)15-6-8-19-16(18)21-15/h3-4,6,8-10,20,22H,1-2H3,(H2,18,19,21) | | Definition date: | 2022-04-07 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol |
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 | | IQY | | Name: | 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol | | Formula: | C22 H24 N4 O | | SMILES: | CCC(O)(CC)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4c3c2c1 | | InChi: | InChI=1S/C22H24N4O/c1-3-22(27,4-2)11-10-14-8-9-17-16(12-14)19-18(25-17)7-5-6-15-13-24-21(23)26-20(15)19/h8-9,12-13,25,27H,3-7H2,1-2H3,(H2,23,24,26) | | Definition date: | 2022-04-07 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol |
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 | | IRD | | Name: | (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol | | Formula: | C21 H22 N4 O | | SMILES: | CC[C](C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4c3c2c1 | | InChi: | InChI=1S/C21H22N4O/c1-3-21(2,26)10-9-13-7-8-16-15(11-13)18-17(24-16)6-4-5-14-12-23-20(22)25-19(14)18/h7-8,11-12,24,26H,3-6H2,1-2H3,(H2,22,23,25)/t21-/m0/s1 | | Definition date: | 2022-04-07 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol |
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 | | IU0 | | Name: | (1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol | | Formula: | C11 H13 N O2 | | SMILES: | O[CH]1CO[CH]2C[CH]1Nc3ccccc23 | | InChi: | InChI=1S/C11H13NO2/c13-10-6-14-11-5-9(10)12-8-4-2-1-3-7(8)11/h1-4,9-13H,5-6H2/t9-,10-,11-/m1/s1 | | Definition date: | 2022-04-12 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | (1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol |
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 | | IU9 | | Name: | N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide | | Formula: | C13 H9 Cl F N O Se | | SMILES: | Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1 | | InChi: | InChI=1S/C13H9ClFNOSe/c14-10-7-8(15)5-6-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17) | | Definition date: | 2022-04-13 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | ~{N}-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide |
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