 | | I61 | | Name: | Inulanolide A | | Formula: | C34 H44 O9 | | SMILES: | CC(=O)OC1C2C(C)=C3CC4C(=C)C(=O)OC4CC(C)C31CC12C(=O)OC2CC(C)=C(C(O)C21)C(C)CCCOC(C)=O | | InChi: | InChI=1S/C34H44O9/c1-15(9-8-10-40-20(6)35)26-16(2)11-25-28(29(26)37)34(32(39)43-25)14-33-17(3)12-24-22(18(4)31(38)42-24)13-23(33)19(5)27(34)30(33)41-21(7)36/h15,17,22,24-25,27-30,37H,4,8-14H2,1-3,5-7H3/t15-,17-,22+,24-,25+,27-,28+,29+,30-,33-,34-/m1/s1 | | Definition date: | 2022-01-13 | | Last modified: | 2022-08-05 | | Release date: | 2022-08-10 | | Identifier: | (4R)-4-[(3R,3aR,3'aS,4R,6'S,7aS,8'aR,9'R,10'aR,11'R)-11'-(acetyloxy)-4-hydroxy-5',6,9'-trimethyl-3'-methylidene-2,2'-dioxo-2',3',3a,3'a,4,4',6',7,7a,9',10',10'a-dodecahydro-2H,8'H-spiro[[1]benzofuran-3,7'-[6,8a]methanobenzo[4,5]cyclohepta[1,2-b]furan]-5-yl]pentyl acetate |
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 | | CY8 | | Name: | Cyclopamine | | Formula: | C27 H41 N O2 | | SMILES: | OC6CC5=CCC4C(CC3=C(C1(OC2CC(CNC2C1C)C)CCC34)C)C5(C)CC6 | | InChi: | InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1 | | Synonyms: | (3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol | | Definition date: | 2014-01-07 | | Last modified: | 2021-03-13 | | Release date: | 2014-03-05 | | Identifier: | (3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol |
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 | | XXZ | | Name: | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE | | Formula: | C20 H22 F N5 O | | SMILES: | O=C(c1ccc(cc1)CN)N4CCC3(N=C(c2c(cccc2F)N3)N)CC4 | | InChi: | InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25) | | Synonyms: | AR-C120011 | | Definition date: | 2006-04-27 | | Last modified: | 2020-06-17 | | Identifier: | 1-{[4-(aminomethyl)phenyl]carbonyl}-5'-fluoro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-amine |
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 | | QCP | | Name: | AR-42 | | Formula: | C18 H20 N2 O3 | | SMILES: | C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C | | InChi: | InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1 | | Synonyms: | N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide | | Definition date: | 2019-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-04 | | Identifier: | N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide |
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 | | A54 | | Name: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile | | Formula: | C16 H15 Cl N2 O | | SMILES: | NCC[CH](Oc1cc(Cl)ccc1C#N)c2ccccc2 | | InChi: | InChI=1S/C16H15ClN2O/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1 | | Synonyms: | AR-C141954 | | Definition date: | 2010-12-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile |
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 | | AR1 | | Name: | (2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1
H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM | | Formula: | C20 H28 N11 O4 | | SMILES: | O=C(c1nc(NC=O)cn1C)Nc3nc(C(=O)Nc2nc(C(=O)NCC[NH+](C)C)n(c2)C)n(c3)C | | InChi: | InChI=1S/C20H27N11O4/c1-28(2)7-6-21-18(33)15-24-13(9-30(15)4)26-20(35)17-25-14(10-31(17)5)27-19(34)16-23-12(22-11-32)8-29(16)3/h8-11H,6-7H2,1-5H3,(H,21,33)(H,22,32)(H,26,35)(H,27,34)/p+1 | | Synonyms: | TRI-IMIDAZOLE DNA MINOR GROOVE BINDER | | Definition date: | 1999-07-16 | | Last modified: | 2020-06-17 | | Identifier: | 2-({[4-({[4-({[4-(formylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-N,N-dimethylethanaminium |
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 | | B14 | | Name: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | | Formula: | C19 H16 F2 N6 O | | SMILES: | N#Cc1ncc(cc1)C(=O)N4CCC3(N=C(c2c(c(F)ccc2F)N3)N)CC4 | | InChi: | InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26) | | Synonyms: | AR-C102222 | | Definition date: | 2005-10-03 | | Last modified: | 2020-06-17 | | Identifier: | 5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]pyridine-2-carbonitrile |
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 | | DDI | | Name: | SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, 2'-[(2-AMINO-2-DEOXY-B-D-GULOPYRANOSYL)OXY]-1,1',2',3'A,4,10'A-HEXAHYDRO-,(2'R,3'AS,10'AR)-(9CI) | | Formula: | C31 H31 N O7 | | SMILES: | O=C6c2cc1ccccc1cc2C7C4(c3ccccc3CCC4=O)C(OC5OC(C(O)C(O)C5N)CO)CC67 | | InChi: | InChI=1S/C31H31NO7/c32-26-29(37)28(36)22(14-33)38-30(26)39-24-13-20-25(31(24)21-8-4-3-5-15(21)9-10-23(31)34)18-11-16-6-1-2-7-17(16)12-19(18)27(20)35/h1-8,11-12,20,22,24-26,28-30,33,36-37H,9-10,13-14,32H2/t20-,22+,24-,25-,26+,28+,29+,30-,31-/m0/s1 | | Definition date: | 2003-05-12 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2'S,3a'R,10a'S)-2,10'-dioxo-1',3,3a',4,10',10a'-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-2'-yl 2-amino-2-deoxy-beta-D-glucopyranoside |
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 | | AR | | Name: | ARGON | | Formula: | Ar | | SMILES: | [Ar] | | InChi: | InChI=1S/Ar | | Definition date: | 1999-12-21 | | Last modified: | 2011-06-04 | | Identifier: | argon |
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 | | ARS | | Name: | ARSENIC | | Formula: | As | | SMILES: | [AsH3] | | InChi: | InChI=1S/AsH3/h1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | arsane |
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