| OZA | Name: | (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one | Formula: | C21 H24 Br N3 O | SMILES: | C314NC(C2(CCCN2C1)CC3C(c5c(C4)c6c(n5)cc(cc6)Br)(C)C)=O | InChi: | InChI=1S/C21H24BrN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-5-4-12(22)8-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1 | Definition date: | 2019-07-22 | Last modified: | 2020-01-17 | Release date: | 2020-01-22 | Identifier: | (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
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| DVX | Name: | [(2R)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate | Formula: | C33 H25 B Br F7 N4 O5 | SMILES: | CC1=CC(=[N+]2C1=Cc3ccc(CCC(=O)OC[CH](Oc4ccc(F)c(C(N)=O)c4F)c5oc(Br)c(n5)c6ccc(cc6)C(F)(F)F)n3[B-]2(F)F)C | InChi: | InChI=1S/C33H25BBrF7N4O5/c1-16-13-17(2)45-23(16)14-21-8-7-20(46(21)34(45,41)42)9-12-26(47)49-15-25(50-24-11-10-22(36)27(28(24)37)31(43)48)32-44-29(30(35)51-32)18-3-5-19(6-4-18)33(38,39)40/h3-8,10-11,13-14,25H,9,12,15H2,1-2H3,(H2,43,48)/t25-/m1/s1 | Definition date: | 2019-09-10 | Last modified: | 2020-01-10 | Release date: | 2020-01-15 | Identifier: | [(2~{R})-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate |
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| PWD | Name: | 5-fluoro-1H-pyrrolo[2,3-b]pyridine | Formula: | C7 H5 F N2 | SMILES: | n1c2c(cc1)cc(cn2)F | InChi: | InChI=1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10) | Definition date: | 2019-08-27 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 5-fluoro-1H-pyrrolo[2,3-b]pyridine |
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| NQ1 | Name: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | Formula: | C20 H15 F N2 O | SMILES: | c32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O | InChi: | InChI=1S/C20H15FN2O/c21-15-10-11-18-19(12-15)23(13-14-6-2-1-3-7-14)20(24)16-8-4-5-9-17(16)22-18/h1-12,22H,13H2 | Definition date: | 2019-05-23 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one |
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| O57 | Name: | 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | Formula: | C20 H15 F N2 O | SMILES: | c1ccc(cc1)CN4C(c2cc(ccc2Nc3ccccc34)F)=O | InChi: | InChI=1S/C20H15FN2O/c21-15-10-11-17-16(12-15)20(24)23(13-14-6-2-1-3-7-14)19-9-5-4-8-18(19)22-17/h1-12,22H,13H2 | Definition date: | 2019-06-11 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one |
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| 4EE | Name: | 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine | Formula: | C19 H18 N4 O2 S | SMILES: | C4(c1ccc(OCC)cc1)=Nn3c(c2ccccc2OC)nnc3SC4 | InChi: | InChI=1S/C19H18N4O2S/c1-3-25-14-10-8-13(9-11-14)16-12-26-19-21-20-18(23(19)22-16)15-6-4-5-7-17(15)24-2/h4-11H,3,12H2,1-2H3 | Definition date: | 2015-03-06 | Last modified: | 2019-12-08 | Release date: | 2015-05-27 | Identifier: | 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
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| XC3 | Name: | [(~{E})-3-[(3~{S},4~{R})-4-azanyl-1-[(2~{S})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium | Formula: | C11 H21 B N3 O6 | SMILES: | C[CH](N)C(=O)N1C[CH](CC=C[B+](O)(O)O)[C](N)(C1)C(O)=O | InChi: | InChI=1S/C11H21BN3O6/c1-7(13)9(16)15-5-8(3-2-4-12(19,20)21)11(14,6-15)10(17)18/h2,4,7-8,19-21H,3,5-6,13-14H2,1H3,(H,17,18)/q+1/b4-2+/t7-,8-,11-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-12-06 | Release date: | 2019-12-11 | Identifier: | [(~{E})-3-[(3~{S},4~{R})-4-azanyl-1-[(2~{S})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium |
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| QGV | Name: | (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone | Formula: | C19 H14 N4 O2 | SMILES: | n2cc(cc3c(C)nn(c1ncccc1)c23)C(=O)c4ccccc4O | InChi: | InChI=1S/C19H14N4O2/c1-12-15-10-13(18(25)14-6-2-3-7-16(14)24)11-21-19(15)23(22-12)17-8-4-5-9-20-17/h2-11,24H,1H3 | Definition date: | 2019-10-29 | Last modified: | 2019-12-06 | Release date: | 2019-12-11 | Identifier: | (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone |
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| L74 | Name: | 3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine | Formula: | C18 H19 Cl N4 | SMILES: | c2cc1c(cnc1nc2)CN3CCN(CC3)c4ccc(Cl)cc4 | InChi: | InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21) | Definition date: | 2018-11-21 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | 3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine |
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| MLW | Name: | 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one | Formula: | C13 H8 Cl N O | SMILES: | Clc1cccc2c1[nH]c3C=CC=CC(=O)c23 | InChi: | InChI=1S/C13H8ClNO/c14-9-5-3-4-8-12-10(15-13(8)9)6-1-2-7-11(12)16/h1-7,15H | Definition date: | 2019-10-18 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one |
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| Q7V | Name: | 5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | Formula: | C8 H22 B N2 O3 | SMILES: | C([B+](O)(O)O)CCCCNCCCN | InChi: | InChI=1S/C8H22BN2O3/c10-6-4-8-11-7-3-1-2-5-9(12,13)14/h11-14H,1-8,10H2/q+1 | Definition date: | 2019-10-02 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | {5-[(3-aminopropyl)amino]pentyl}(trihydroxy)boranium |
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| Y17 | Name: | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one | Formula: | C18 H21 N3 O2 | SMILES: | CN4C(CC(CCn3c1c(cccc1)c2C(NCCc23)=O)C4)=O | InChi: | InChI=1S/C18H21N3O2/c1-20-11-12(10-16(20)22)7-9-21-14-5-3-2-4-13(14)17-15(21)6-8-19-18(17)23/h2-5,12H,6-11H2,1H3,(H,19,23)/t12-/m1/s1 | Definition date: | 2019-07-12 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one |
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| Y18 | Name: | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one | Formula: | C17 H19 N3 O2 | SMILES: | C1(=O)c3c(CCN1)n(CC2CC(N(C2)C)=O)c4c3cccc4 | InChi: | InChI=1S/C17H19N3O2/c1-19-9-11(8-15(19)21)10-20-13-5-3-2-4-12(13)16-14(20)6-7-18-17(16)22/h2-5,11H,6-10H2,1H3,(H,18,22)/t11-/m0/s1 | Definition date: | 2019-07-12 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one |
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| MVE | Name: | cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone | Formula: | C30 H40 N6 O2 | SMILES: | CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=O)C6CC6)c4c3 | InChi: | InChI=1S/C30H40N6O2/c1-4-38-30(10-13-33(14-11-30)22(2)3)25-7-8-26(31-20-25)24-19-28-27(9-12-32-36(28)21-24)34-15-17-35(18-16-34)29(37)23-5-6-23/h7-9,12,19-23H,4-6,10-11,13-18H2,1-3H3 | Definition date: | 2019-10-24 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone |
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| MKP | Name: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide | Formula: | C21 H21 N5 O3 | SMILES: | c1c(ccc(c1c2cc3c(nc2)N(C(N3)=O)C(C)(C)C)C)C(Nc4ccon4)=O | InChi: | InChI=1S/C21H21N5O3/c1-12-5-6-13(19(27)24-17-7-8-29-25-17)9-15(12)14-10-16-18(22-11-14)26(20(28)23-16)21(2,3)4/h5-11H,1-4H3,(H,23,28)(H,24,25,27) | Definition date: | 2019-04-08 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide |
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| HJB | Name: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid | Formula: | C10 H12 B O5 | SMILES: | OC(=O)CCc1cccc2CO[B-](O)(O)c12 | InChi: | InChI=1S/C10H12BO5/c12-9(13)5-4-7-2-1-3-8-6-16-11(14,15)10(7)8/h1-3,14-15H,4-6H2,(H,12,13)/q-1 | Definition date: | 2018-12-07 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid |
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| O5B | Name: | trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Formula: | C29 H27 F8 N O5 S | SMILES: | C2CN(C(=O)C1CCC(CC1)C(O)=O)C3CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c4ccc(cc4)F)(=O)=O | InChi: | InChI=1S/C29H27F8NO5S/c30-20-7-9-21(10-8-20)44(42,43)26-13-14-38(24(39)16-1-3-17(4-2-16)25(40)41)23(26)12-5-18-15-19(6-11-22(18)26)27(31,28(32,33)34)29(35,36)37/h6-11,15-17,23H,1-5,12-14H2,(H,40,41)/t16-,17-,23-,26-/m1/s1 | Definition date: | 2019-08-20 | Last modified: | 2019-11-01 | Release date: | 2019-11-06 | Identifier: | trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid |
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| LVH | Name: | (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid | Formula: | C26 H27 F3 N2 O2 | SMILES: | C[CH]1Cc2c([nH]c3ccccc23)[C](C)(N1CC(C)(C)F)c4c(F)cc(C=CC(O)=O)cc4F | InChi: | InChI=1S/C26H27F3N2O2/c1-15-11-18-17-7-5-6-8-21(17)30-24(18)26(4,31(15)14-25(2,3)29)23-19(27)12-16(13-20(23)28)9-10-22(32)33/h5-10,12-13,15,30H,11,14H2,1-4H3,(H,32,33)/b10-9+/t15-,26-/m1/s1 | Definition date: | 2019-09-16 | Last modified: | 2019-10-25 | Release date: | 2019-10-30 | Identifier: | (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid |
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| QFP | Name: | 2-hydroxyethyl hydrogen phenylboronate | Formula: | C8 H11 B O3 | SMILES: | c1ccccc1B(OCCO)O | InChi: | InChI=1S/C8H11BO3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2 | Definition date: | 2019-10-23 | Last modified: | 2019-10-25 | Release date: | 2019-10-30 | Identifier: | 2-hydroxyethyl hydrogen phenylboronate |
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| QFS | Name: | 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate | Formula: | C9 H13 B O4 | SMILES: | c1ccc(cc1B(OCCO)O)OC | InChi: | InChI=1S/C9H13BO4/c1-13-9-4-2-3-8(7-9)10(12)14-6-5-11/h2-4,7,11-12H,5-6H2,1H3 | Definition date: | 2019-10-23 | Last modified: | 2019-10-25 | Release date: | 2019-10-30 | Identifier: | 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate |
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| KL5 | Name: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea | Formula: | C15 H16 B N2 O3 S | SMILES: | O[B-]1(O)OCc2ccc(NC(=S)NCc3ccccc3)cc12 | InChi: | InChI=1S/C15H16BN2O3S/c19-16(20)14-8-13(7-6-12(14)10-21-16)18-15(22)17-9-11-4-2-1-3-5-11/h1-8,19-20H,9-10H2,(H2,17,18,22)/q-1 | Definition date: | 2019-06-03 | Last modified: | 2019-10-18 | Release date: | 2019-08-28 | Identifier: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea |
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| K9B | Name: | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid | Formula: | C19 H29 B N3 O6 | SMILES: | NCCN[CH]1CC[CH](CC1)CC(=O)N[CH]2Cc3cccc(C(O)=O)c3O[B-]2(O)O | InChi: | InChI=1S/C19H29BN3O6/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)29-20(16,27)28/h1-3,12,14,16,22,27-28H,4-11,21H2,(H,23,24)(H,25,26)/q-1/t12-,14-,16-/m0/s1 | Definition date: | 2019-05-07 | Last modified: | 2019-10-18 | Release date: | 2019-09-11 | Identifier: | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid |
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| OK3 | Name: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid | Formula: | C17 H18 B N2 O6 | SMILES: | NCc1ccc(cc1)C(=O)N[CH]2Cc3cccc(C(O)=O)c3O[B-]2(O)O | InChi: | InChI=1S/C17H18BN2O6/c19-9-10-4-6-11(7-5-10)16(21)20-14-8-12-2-1-3-13(17(22)23)15(12)26-18(14,24)25/h1-7,14,24-25H,8-9,19H2,(H,20,21)(H,22,23)/q-1/t14-/m0/s1 | Definition date: | 2015-12-08 | Last modified: | 2019-10-18 | Release date: | 2016-08-10 | Identifier: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid |
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| 6M4 | Name: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium | Formula: | C7 H8 B O3 | SMILES: | c1c2c(ccc1)[B+](OC2)(O)O | InChi: | InChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1 | Definition date: | 2016-05-04 | Last modified: | 2019-10-18 | Release date: | 2016-10-19 | Identifier: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium |
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| BVZ | Name: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide | Formula: | C21 H25 B N3 O5 S | SMILES: | O[B-](O)(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34 | InChi: | InChI=1S/C21H25BN3O5S/c26-22(27,28)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)31(29,30)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-28H,4,11-14,16H2/q-1 | Definition date: | 2017-10-19 | Last modified: | 2019-10-18 | Release date: | 2018-10-31 | Identifier: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide |
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