 | | BMH | | Name: | 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM,
6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, INNER
SALT, (4R-(4ALPHA,5BETA,6BETA(R*)))- | | Formula: | C15 H22 N4 O5 S | | SMILES: | O=C(O)C(C(O)C)C3NC(=C(SC2C[n+]1cncn1C2)C3C)C([O-])O | | InChi: | InChI=1S/C15H22N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,15,17,20,23H,3-4H2,1-2H3,(H,21,22)/t7-,8-,10-,11-,15-/m1/s1 | | Synonyms: | BIAPENEM (HYDLYZED) | | Definition date: | 2004-08-25 | | Last modified: | 2020-06-17 | | Identifier: | (S)-[(4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-4-methyl-4,5-dihydro-1H-pyrrol-2-yl](hydroxy)methanolate |
|
 | | 1CA | | Name: | DESOXYCORTICOSTERONE | | Formula: | C21 H30 O3 | | SMILES: | O=C4C=C2C(C1CCC3(C(C(=O)CO)CCC3C1CC2)C)(C)CC4 | | InChi: | InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | | Synonyms: | 4-PREGNEN-21-OL-3,20-DIONE | | Definition date: | 2005-01-11 | | Last modified: | 2020-06-17 | | Identifier: | (14beta)-21-hydroxypregn-4-ene-3,20-dione |
|
 | | 1F5 | | Name: | (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1
1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de
cahydrodicyclopenta[a,d][8]annulene-1,5-diol | | Formula: | C33 H50 O11 | | SMILES: | O4C(C5OC6C(O)C(OC3C1=C(C(C)C)CCC1(C=C2C(O)(COC)CCC2C(C)C3O)C)OC(C46O5)COC)(C7OC7)C | | InChi: | InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1 | | Synonyms: | Cotylenin A | | Definition date: | 2013-01-11 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-25 | | Identifier: | (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5-diol (non-preferred name) |
|
 | | BPL | | Name: | 1-BENZO[A]PYREN-6-YL-3-METHYL-UREA | | Formula: | C22 H16 N2 O | | SMILES: | O=C(NC)Nc4c5c(c1ccc3c2c1c4ccc2ccc3)cccc5 | | InChi: | InChI=1S/C22H16N2O/c1-23-22(25)24-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3,(H2,23,24,25) | | Synonyms: | 6-[3-METHYLUREAYL]-BENZO[A]PYRENE | | Definition date: | 2000-03-20 | | Last modified: | 2020-06-17 | | Identifier: | 1-benzo[pqr]tetraphen-6-yl-3-methylurea |
|
 | | BYY | | Name: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid | | Formula: | C10 H16 N2 O3 Se | | SMILES: | O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O | | InChi: | InChI=1S/C10H16N2O3Se/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 | | Synonyms: | selenobiotin | | Definition date: | 2016-04-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-16 | | Identifier: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid |
|
 | | C0L | | Name: | methyl
[(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d
ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate | | Formula: | C30 H41 N O7 | | SMILES: | CC=[C@H]CC=C(/C)C(O)CCC(=[C@H]C=C(/C)C(O)=C1C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C | | InChi: | InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1 | | Synonyms: | Corallopyronin A | | Definition date: | 2018-08-14 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate |
|
 | | C5E | | Name: | (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE | | Formula: | C11 H14 N2 O | | SMILES: | O=C1C=CC=C2N1CC3CNCC2C3 | | InChi: | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1 | | Synonyms: | CYTISINE | | Definition date: | 2012-01-23 | | Last modified: | 2020-06-17 | | Identifier: | (1R,5S)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
|
 | | C8M | | Name: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid
e | | Formula: | C15 H23 N7 O4 | | SMILES: | O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | | InChi: | InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1 | | Synonyms: | 5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | | Definition date: | 2008-07-31 | | Last modified: | 2020-06-17 | | Identifier: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name) |
|
 | | CHQ | | Name: | CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR | | Formula: | C11 H14 N4 O2 | | SMILES: | O=C1N3CCCC3C(=O)NC1Cc2cncn2 | | InChi: | InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1 | | Synonyms: | (3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE | | Definition date: | 2004-06-24 | | Last modified: | 2020-06-17 | | Identifier: | (3S,8aS)-3-(1H-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
|
 | | CNU | | Name: | 5-CYANO-URIDINE-5'-MONOPHOSPHATE | | Formula: | C10 H12 N3 O9 P | | SMILES: | N#CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C10H12N3O9P/c11-1-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h2,5-7,9,14-15H,3H2,(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1 | | Synonyms: | 5-cyano-UMP | | Definition date: | 2007-12-14 | | Last modified: | 2020-06-17 | | Identifier: | 5-cyanouridine 5'-(dihydrogen phosphate) |
|
 | | CO1 | | Name: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC
LOPENTA[A]PHENANTHREN-3-OL | | Formula: | C27 H44 O2 | | SMILES: | OC4CC3=CCC5C2C(C(C(CCC1OC1(C)C)C)CC2)(C)CCC5C3(C)CC4 | | InChi: | InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1 | | Synonyms: | 24,25(S)-EPOXYCHOLESTEROL | | Definition date: | 2003-05-13 | | Last modified: | 2020-06-17 | | Identifier: | (3beta,14beta,24S)-24,25-epoxycholest-5-en-3-ol |
|
 | | COK | | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL
(3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN
DIPHOSPHATE | | Formula: | C23 H40 N7 O17 P3 S2 | | SMILES: | O=C(NCCSSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C23H40N7O17P3S2/c1-23(2,18(34)21(35)26-4-3-14(32)25-5-7-51-52-8-6-31)10-44-50(41,42)47-49(39,40)43-9-13-17(46-48(36,37)38)16(33)22(45-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,31,33-34H,3-10H2,1-2H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 | | Synonyms: | S-(THIOETHYLHYDROXY)COENZYME A | | Definition date: | 2006-03-22 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)disulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
|
 | | CPS | | Name: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE | | Formula: | C32 H58 N2 O7 S | | SMILES: | [O-]S(=O)(=O)CCC[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C | | InChi: | InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 | | Synonyms: | CHAPS | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-[dimethyl(3-{[(3beta,5alpha,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonate |
|
 | | CSG | | Name: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) | | Formula: | C9 H17 N4 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(N)C2O | | InChi: | InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3,11H2,(H,19,20)(H,21,22)(H2,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 2'-amino-2'-deoxycytidine-5'-triphosphate | | Definition date: | 2009-04-23 | | Last modified: | 2020-06-17 | | Identifier: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) |
|
 | | CT8 | | Name: | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE | | Formula: | C17 H14 Br N6 | | SMILES: | Brc4cccc(c1nc3ncn[n+]3c(c1)NCc2ccncc2)c4 | | InChi: | InChI=1S/C17H13BrN6/c18-14-3-1-2-13(8-14)15-9-16(24-17(23-15)21-11-22-24)20-10-12-4-6-19-7-5-12/h1-9,11H,10H2,(H,20,21,22,23)/p+1 | | Synonyms: | TRIAZOLOPYRIMIDINE | | Definition date: | 2005-11-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium |
|
 | | CV1 | | Name: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8
,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide | | Formula: | C15 H21 Br N5 O13 P2 | | SMILES: | Brc2nc1c(N)[n+]4cnc1n2C3OC(C(O)C3O)COP(=O)(OP(=O)(O)OCC5OC4C(O)C5O)O | | InChi: | InChI=1S/C15H20BrN5O13P2/c16-15-19-6-11(17)20-3-18-12(6)21(15)14-10(25)8(23)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(22)9(24)13(20)32-4/h3-5,7-10,13-14,17,22-25H,1-2H2,(H2,26,27,28,29)/p-1/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1 | | Synonyms: | 8-BROMO-CYCLIC-ADP-RIBOSE | | Definition date: | 2011-09-07 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4S,5R,8R,10R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22-tetraene 8,10-dioxide (non-preferred name) |
|
 | | CX7 | | Name: | Cotylenol | | Formula: | C21 H34 O4 | | SMILES: | O(C)CC3(O)C2=CC1(C(=C(CC1)C(C)C)C(O)C(O)C(C2CC3)C)C | | InChi: | InChI=1S/C21H34O4/c1-12(2)14-6-8-20(4)10-16-15(7-9-21(16,24)11-25-5)13(3)18(22)19(23)17(14)20/h10,12-13,15,18-19,22-24H,6-9,11H2,1-5H3/b16-10+/t13-,15+,18-,19-,20-,21+/m1/s1 | | Synonyms: | (1R,3aS,4R,5R,6R,9aR,10E)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a
,d][8]annulene-1,5,6-triol | | Definition date: | 2011-07-06 | | Last modified: | 2020-06-17 | | Release date: | 2016-05-04 | | Identifier: | (1R,3aS,4R,5R,6R,9aR,10E)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5,6-triol |
|
 | | CZB | | Name: | (2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE | | Formula: | C26 H22 Br N3 O4 | | SMILES: | Brc1ccc(cc1)CC5(OO)N=C2N(C=C(NC2Cc3ccccc3)c4ccc(O)cc4)C5=O | | InChi: | InChI=1S/C26H22BrN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26-/m0/s1 | | Synonyms: | BR-COELENETERAZINE | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | (2S,8S)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one |
|
 | | CZH | | Name: | C2-HYDROPEROXY-COELENTERAZINE | | Formula: | C26 H21 N3 O5 | | SMILES: | O=C1N3C=C(N=C(C3=NC1(OO)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5 | | InChi: | InChI=1S/C26H21N3O5/c30-20-10-6-18(7-11-20)15-26(34-33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1 | | Synonyms: | 8-BENZYL-2-HYDROPEROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE | | Definition date: | 2000-03-07 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-8-benzyl-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one |
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 | | CZP | | Name: | (8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)
-ONE | | Formula: | C25 H27 N3 O5 | | SMILES: | O=C1N3C=C(NC(C3=NC1(OO)Cc2ccc(O)cc2)CC4CCCC4)c5ccc(O)cc5 | | InChi: | InChI=1S/C25H27N3O5/c29-19-9-5-17(6-10-19)14-25(33-32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21-,25-/m0/s1 | | Synonyms: | CP-COELENETERAZINE | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | (2S,8S)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one |
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 | | D3A | | Name: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic
acid | | Formula: | C29 H31 Cl N2 O6 | | SMILES: | O=C(O)CC5CCN(C(=O)CC3OC(c1cc(Cl)ccc1n2cccc23)c4cccc(OC)c4OC)CC5 | | InChi: | InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1 | | Synonyms: | 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acet
ic acid | | Definition date: | 2012-01-11 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid |
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 | | D5T | | Name: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi
din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione | | Formula: | C30 H38 N4 O6 | | SMILES: | COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CC(C)(C)CC4=O)C(=O)[CH]5CC=CC[CH]25 | | InChi: | InChI=1S/C30H38N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h5-6,9-10,15,20-22H,7-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1 | | Synonyms: | NPD-226 | | Definition date: | 2017-12-25 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-10 | | Identifier: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione |
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 | | UUP | | Name: | N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C10 H10 N4 O | | SMILES: | n1n3cccnc3c(c1)C(NC2CC2)=O | | InChi: | InChI=1S/C10H10N4O/c15-10(13-7-2-3-7)8-6-12-14-5-1-4-11-9(8)14/h1,4-7H,2-3H2,(H,13,15) | | Definition date: | 2020-06-02 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | UWD | | Name: | N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine | | Formula: | C8 H10 N4 | | SMILES: | n2c(n1ccccc1n2)CNC | | InChi: | InChI=1S/C8H10N4/c1-9-6-8-11-10-7-4-2-3-5-12(7)8/h2-5,9H,6H2,1H3 | | Definition date: | 2020-06-02 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine |
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 | | U5A | | Name: | [(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | | Formula: | C10 H17 N7 O2 | | SMILES: | NC(=O)OCC2C1C3(N/C(N1)=N)N(/C(N2)=N)CCC3 | | InChi: | InChI=1S/C10H17N7O2/c11-7-15-6-5(4-19-9(13)18)14-8(12)17-3-1-2-10(6,17)16-7/h5-6H,1-4H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t5-,6-,10+/m0/s1 | | Definition date: | 2020-04-23 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | [(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate |
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