 | | E5D | | Name: | (9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione | | Formula: | C31 H45 N3 O3 | | SMILES: | CCN1CCCCCC(C)CC(NC(c2cc(C1=O)ccc2)=O)C(CNCc3cc(ccc3)C(C)C)O | | InChi: | InChI=1S/C31H45N3O3/c1-5-34-16-8-6-7-11-23(4)17-28(33-30(36)26-14-10-15-27(19-26)31(34)37)29(35)21-32-20-24-12-9-13-25(18-24)22(2)3/h9-10,12-15,18-19,22-23,28-29,32,35H,5-8,11,16-17,20-21H2,1-4H3,(H,33,36)/t23-,28+,29-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione |
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 | | E5P | | Name: | (9R,11S)-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1R)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione | | Formula: | C40 H50 N4 O4 | | SMILES: | C3(CC(CCCCCN(C(=O)c1cc(cc(c1)c2ncco2)C(N3)=O)C(C)c4ccccc4)C)C(CNCc5cc(ccc5)C(C)C)O | | InChi: | InChI=1S/C40H50N4O4/c1-27(2)32-16-11-13-30(21-32)25-41-26-37(45)36-20-28(3)12-7-6-10-18-44(29(4)31-14-8-5-9-15-31)40(47)35-23-33(38(46)43-36)22-34(24-35)39-42-17-19-48-39/h5,8-9,11,13-17,19,21-24,27-29,36-37,41,45H,6-7,10,12,18,20,25-26H2,1-4H3,(H,43,46)/t28-,29-,36+,37-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (9R,11S)-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1R)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione |
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 | | E5V | | Name: | (4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one | | Formula: | C28 H39 N3 O6 | | SMILES: | COCC4OCC(C(C2Cc3cccc(OCCCCNc1cc(COC)cc(c1)C(N2)=O)c3)O)NC4 | | InChi: | InChI=1S/C28H39N3O6/c1-34-16-20-10-21-14-22(11-20)29-8-3-4-9-36-23-7-5-6-19(12-23)13-25(31-28(21)33)27(32)26-18-37-24(15-30-26)17-35-2/h5-7,10-12,14,24-27,29-30,32H,3-4,8-9,13,15-18H2,1-2H3,(H,31,33)/t24-,25+,26-,27+/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one |
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 | | E5Y | | Name: | (5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione | | Formula: | C25 H45 N5 O4 | | SMILES: | c2(CNCC(C1CC(CCCCCCOCC(=O)N(C(C(N1)=O)C)C)C)O)cc(CCC)nn2 | | InChi: | InChI=1S/C25H45N5O4/c1-5-10-20-14-21(29-28-20)15-26-16-23(31)22-13-18(2)11-8-6-7-9-12-34-17-24(32)30(4)19(3)25(33)27-22/h14,18-19,22-23,26,31H,5-13,15-17H2,1-4H3,(H,27,33)(H,28,29)/t18-,19+,22+,23-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione |
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 | | E61 | | Name: | (10S,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one | | Formula: | C31 H47 N3 O4 | | SMILES: | C2(CC(CCOCCCCNc1cc(cc(c1)COC)C(N2)=O)C)C(CNCc3cc(ccc3)C(C)C)O | | InChi: | InChI=1S/C31H47N3O4/c1-22(2)26-9-7-8-24(15-26)19-32-20-30(35)29-14-23(3)10-13-38-12-6-5-11-33-28-17-25(21-37-4)16-27(18-28)31(36)34-29/h7-9,15-18,22-23,29-30,32-33,35H,5-6,10-14,19-21H2,1-4H3,(H,34,36)/t23-,29+,30-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (10S,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one |
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 | | E6J | | Name: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one | | Formula: | C33 H42 N2 O5 | | SMILES: | C2(Cc3cc(OCCCCOc1cc(cc(c1)COC)C(N2)=O)ccc3)C(CNCc4cc(ccc4)C(C)C)O | | InChi: | InChI=1S/C33H42N2O5/c1-23(2)27-10-6-9-25(14-27)20-34-21-32(36)31-18-24-8-7-11-29(16-24)39-12-4-5-13-40-30-17-26(22-38-3)15-28(19-30)33(37)35-31/h6-11,14-17,19,23,31-32,34,36H,4-5,12-13,18,20-22H2,1-3H3,(H,35,37)/t31-,32+/m0/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one |
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 | | E6M | | Name: | (10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one | | Formula: | C32 H49 N3 O3 | | SMILES: | C2(CC(CCCCCCCNc1cc(cc(c1)COC)C(N2)=O)C)C(CNCc3cc(ccc3)C(C)C)O | | InChi: | InChI=1S/C32H49N3O3/c1-23(2)27-13-10-12-25(16-27)20-33-21-31(36)30-15-24(3)11-8-6-5-7-9-14-34-29-18-26(22-38-4)17-28(19-29)32(37)35-30/h10,12-13,16-19,23-24,30-31,33-34,36H,5-9,11,14-15,20-22H2,1-4H3,(H,35,37)/t24-,30+,31-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one |
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 | | E6P | | Name: | (10S,12S)-17-chloro-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one | | Formula: | C28 H41 Cl N4 O3 | | SMILES: | c2(nc1NCCCCOCCC(CC(NC(c(c1)c2)=O)C(CNCc3cc(ccc3)C(C)C)O)C)Cl | | InChi: | InChI=1S/C28H41ClN4O3/c1-19(2)22-8-6-7-21(14-22)17-30-18-25(34)24-13-20(3)9-12-36-11-5-4-10-31-27-16-23(28(35)32-24)15-26(29)33-27/h6-8,14-16,19-20,24-25,30,34H,4-5,9-13,17-18H2,1-3H3,(H,31,33)(H,32,35)/t20-,24+,25-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (10S,12S)-17-chloro-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one |
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 | | E6S | | Name: | (3S,14R,16S)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione | | Formula: | C29 H49 N3 O4 | | SMILES: | C2(N(C(CCCCCCCCC(C)CC(C(O)(CNCc1cc(ccc1)C(C)C)O)NC2=O)=O)C)C | | InChi: | InChI=1S/C29H49N3O4/c1-21(2)25-15-12-14-24(18-25)19-30-20-29(35,36)26-17-22(3)13-10-8-6-7-9-11-16-27(33)32(5)23(4)28(34)31-26/h12,14-15,18,21-23,26,30,35-36H,6-11,13,16-17,19-20H2,1-5H3,(H,31,34)/t22-,23+,26+/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (3S,14R,16S)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione |
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 | | E6V | | Name: | (3S,14R,16S)-16-[(1R)-2-{[(4S)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione | | Formula: | C33 H55 N3 O4 | | SMILES: | C1(N(C(CCCCCCCCC(CC(NC1=O)C(CNC2CC(C)(C)Oc3c2cc(cc3)C(C)C)O)C)=O)C)C | | InChi: | InChI=1S/C33H55N3O4/c1-22(2)25-16-17-30-26(19-25)28(20-33(5,6)40-30)34-21-29(37)27-18-23(3)14-12-10-8-9-11-13-15-31(38)36(7)24(4)32(39)35-27/h16-17,19,22-24,27-29,34,37H,8-15,18,20-21H2,1-7H3,(H,35,39)/t23-,24+,27+,28+,29-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (3S,14R,16S)-16-[(1R)-2-{[(4S)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione |
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 | | E6Y | | Name: | (5S,8S,10R)-8-[(1R)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione | | Formula: | C31 H51 N3 O4 | | SMILES: | C3(N(C(COCCCCCCC(C)CC(C(CNC1(CC1)c2cc(ccc2)C(C)(C)C)O)NC3=O)=O)C)C | | InChi: | InChI=1S/C31H51N3O4/c1-22-12-9-7-8-10-17-38-21-28(36)34(6)23(2)29(37)33-26(18-22)27(35)20-32-31(15-16-31)25-14-11-13-24(19-25)30(3,4)5/h11,13-14,19,22-23,26-27,32,35H,7-10,12,15-18,20-21H2,1-6H3,(H,33,37)/t22-,23+,26+,27-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (5S,8S,10R)-8-[(1R)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione |
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 | | E74 | | Name: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one | | Formula: | C31 H40 N4 O3 | | SMILES: | C2(Cc3cc(CCCCNc1cc(cc(n1)OC)C(N2)=O)ccc3)C(CNCc4cc(ccc4)C(C)C)O | | InChi: | InChI=1S/C31H40N4O3/c1-21(2)25-12-7-11-24(15-25)19-32-20-28(36)27-16-23-10-6-9-22(14-23)8-4-5-13-33-29-17-26(31(37)34-27)18-30(35-29)38-3/h6-7,9-12,14-15,17-18,21,27-28,32,36H,4-5,8,13,16,19-20H2,1-3H3,(H,33,35)(H,34,37)/t27-,28+/m0/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one |
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 | | E77 | | Name: | (4S)-4-[(1R)-1,2-dihydroxyethyl]-N,N-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide | | Formula: | C24 H30 N2 O6 | | SMILES: | C(C1Cc3cc(OCCCCOc2cc(C(N1)=O)cc(c2)C(=O)N(C)C)ccc3)(O)CO | | InChi: | InChI=1S/C24H30N2O6/c1-26(2)24(30)18-12-17-13-20(14-18)32-9-4-3-8-31-19-7-5-6-16(10-19)11-21(22(28)15-27)25-23(17)29/h5-7,10,12-14,21-22,27-28H,3-4,8-9,11,15H2,1-2H3,(H,25,29)/t21-,22-/m0/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (4S)-4-[(1R)-1,2-dihydroxyethyl]-N,N-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide |
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 | | E7A | | Name: | (10R,12S)-12-[(1R)-1,2-dihydroxyethyl]-N,N,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide | | Formula: | C23 H36 N2 O5 | | SMILES: | C(C(C1CC(CCCCCCCOc2cc(C(N1)=O)cc(c2)C(=O)N(C)C)C)O)O | | InChi: | InChI=1S/C23H36N2O5/c1-16-9-7-5-4-6-8-10-30-19-13-17(12-18(14-19)23(29)25(2)3)22(28)24-20(11-16)21(27)15-26/h12-14,16,20-21,26-27H,4-11,15H2,1-3H3,(H,24,28)/t16-,20+,21+/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (10R,12S)-12-[(1R)-1,2-dihydroxyethyl]-N,N,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide |
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 | | E7R | | Name: | 1,3-dimethyl-7-propyl-purine-2,6-dione | | Formula: | C10 H14 N4 O2 | | SMILES: | CCCn1cnc2N(C)C(=O)N(C)C(=O)c12 | | InChi: | InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3 | | Definition date: | 2019-11-13 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 1,3-dimethyl-7-propyl-purine-2,6-dione |
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 | | F0C | | Name: | 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline | | Formula: | C17 H21 N O | | SMILES: | COc1ccc(CC2=NCCC3=C2CCCC3)cc1 | | InChi: | InChI=1S/C17H21NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9H,2-5,10-12H2,1H3 | | Definition date: | 2020-03-02 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline |
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 | | OUB | | Name: | (S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione | | Formula: | C9 H9 N3 O5 | | SMILES: | N[CH](CN1C(=O)NC(=O)c2cocc12)C(O)=O | | InChi: | InChI=1S/C9H9N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h2-3,5H,1,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1 | | Definition date: | 2020-04-06 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid |
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 | | GES | | Name: | 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name) | | Formula: | C18 H30 N6 O2 | | SMILES: | C(NC(c1cc(C(C)(C)C)nn1C)=O)(CC(C)C)C(N(N(C)C#N)C)=O | | InChi: | InChI=1S/C18H30N6O2/c1-12(2)9-13(17(26)24(8)22(6)11-19)20-16(25)14-10-15(18(3,4)5)21-23(14)7/h10,12-13H,9H2,1-8H3,(H,20,25)/t13-/m0/s1 | | Definition date: | 2018-05-18 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name) |
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 | | KPQ | | Name: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide | | Formula: | C4 H2 F9 N O2 S | | SMILES: | N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | | InChi: | InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16) | | Definition date: | 2019-06-13 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide |
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 | | KQT | | Name: | Berberine | | Formula: | C28 H27 N2 O4 | | SMILES: | COc1ccc2c(CCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC | | InChi: | InChI=1S/C28H27N2O4/c1-31-24-7-6-20-21(5-3-4-18-8-11-29-12-9-18)27-22-15-26-25(33-17-34-26)14-19(22)10-13-30(27)16-23(20)28(24)32-2/h6-9,11-12,14-16H,3-5,10,13,17H2,1-2H3/q+1 | | Definition date: | 2019-06-18 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 |
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 | | QNJ | | Name: | (3beta,5beta,14beta,17alpha)-cholestan-3-ol | | Formula: | C27 H48 O | | SMILES: | C1C3(C(CC(C1)O)CCC2C4C(CCC23)(C)C(CC4)C(CCCC(C)C)C)C | | InChi: | InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | | Definition date: | 2019-11-25 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (3beta,5beta,14beta,17alpha)-cholestan-3-ol |
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 | | QNP | | Name: | (2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate | | Formula: | C26 H51 O8 P | | SMILES: | CCCCCCCCC(=O)OCC(COP(O)(=O)O)OC(CCCCCCCCCCCCC)=O | | InChi: | InChI=1S/C26H51O8P/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(28)34-24(23-33-35(29,30)31)22-32-25(27)20-18-16-10-8-6-4-2/h24H,3-23H2,1-2H3,(H2,29,30,31)/t24-/m0/s1 | | Definition date: | 2019-11-25 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate |
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 | | R8A | | Name: | (2-aminopyridin-3-yl)methanol | | Formula: | C6 H8 N2 O | | SMILES: | c1nc(N)c(CO)cc1 | | InChi: | InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8) | | Definition date: | 2020-02-10 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (2-aminopyridin-3-yl)methanol |
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 | | R8P | | Name: | (1S)-1-(4-nitrophenyl)ethan-1-ol | | Formula: | C8 H9 N O3 | | SMILES: | c1cc(ccc1[N+]([O-])=O)C(C)O | | InChi: | InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1 | | Definition date: | 2020-02-10 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (1S)-1-(4-nitrophenyl)ethan-1-ol |
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 | | R8V | | Name: | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one | | Formula: | C9 H9 N O2 | | SMILES: | c1cc2c(cc1)C(N(C)C2O)=O | | InChi: | InChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3/t8-/m0/s1 | | Definition date: | 2020-02-10 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one |
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