![COG COG](https://data.pdbj.org/pdbjplus/data/cc/svg/COG.svg) | COG | Name: | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE | Formula: | C18 H21 N5 O2 | SMILES: | n3c1c(cc(cc1)N(Cc2cc(OC)ccc2OC)C)c(nc3N)N | InChi: | InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22) | Definition date: | 2002-07-25 | Last modified: | 2011-06-04 | Identifier: | N~6~-(2,5-dimethoxybenzyl)-N~6~-methylquinazoline-2,4,6-triamine |
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![CQP CQP](https://data.pdbj.org/pdbjplus/data/cc/svg/CQP.svg) | CQP | Name: | (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE | Formula: | C21 H22 Cl N3 O3 S | SMILES: | O=S(=O)(c2c1ccncc1ccc2)NCC4NCC(OCc3ccc(Cl)cc3)C4 | InChi: | InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1 | Definition date: | 2005-09-12 | Last modified: | 2011-06-04 | Identifier: | N-({(2S,4R)-4-[(4-chlorobenzyl)oxy]pyrrolidin-2-yl}methyl)isoquinoline-5-sulfonamide |
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![CRL CRL](https://data.pdbj.org/pdbjplus/data/cc/svg/CRL.svg) | CRL | Name: | N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE | Formula: | C17 H30 N4 O5 S Si | SMILES: | O=S2(=O)CCC(C#N)(NC(=O)C(NC(=O)N1CCOCC1)C[Si](C)(C)C)CC2 | InChi: | InChI=1S/C17H30N4O5SSi/c1-28(2,3)12-14(19-16(23)21-6-8-26-9-7-21)15(22)20-17(13-18)4-10-27(24,25)11-5-17/h14H,4-12H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1 | Definition date: | 2006-01-31 | Last modified: | 2011-06-04 | Identifier: | N-{(1R)-2-[(4-cyano-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide |
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![CTC CTC](https://data.pdbj.org/pdbjplus/data/cc/svg/CTC.svg) | CTC | Name: | 7-CHLOROTETRACYCLINE | Formula: | C22 H23 Cl N2 O8 | SMILES: | Clc1c4c(c(O)cc1)C(=O)C3=C(O)C2(O)C(=O)C(=C(O)C(N(C)C)C2CC3C4(O)C)C(=O)N | InChi: | InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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![9BD 9BD](https://data.pdbj.org/pdbjplus/data/cc/svg/9BD.svg) | 9BD | Name: | 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine | Formula: | C19 H19 N5 O3 | SMILES: | n1c(c3c(cc1n2ccnc2)c4cc(OC)c(OCCOC)cc4nc3)N | InChi: | InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23) | Definition date: | 2009-05-07 | Last modified: | 2011-06-04 | Identifier: | 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine |
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![9DP 9DP](https://data.pdbj.org/pdbjplus/data/cc/svg/9DP.svg) | 9DP | Name: | (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | Formula: | C24 H25 Cl2 N5 O3 | SMILES: | Clc1cccc(c1Cl)NC(=O)Nc4cc(nn4c2ccc3c(c2)CC(C(=O)O)NC3)C(C)(C)C | InChi: | InChI=1S/C24H25Cl2N5O3/c1-24(2,3)19-11-20(29-23(34)28-17-6-4-5-16(25)21(17)26)31(30-19)15-8-7-13-12-27-18(22(32)33)10-14(13)9-15/h4-9,11,18,27H,10,12H2,1-3H3,(H,32,33)(H2,28,29,34)/t18-/m0/s1 | Definition date: | 2011-02-18 | Last modified: | 2011-06-04 | Identifier: | (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
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![9HP 9HP](https://data.pdbj.org/pdbjplus/data/cc/svg/9HP.svg) | 9HP | Name: | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | Formula: | C18 H12 N2 O | SMILES: | n2cc(c1ccc(O)cc1)cc4c2ccc3ccncc34 | InChi: | InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H | Definition date: | 2003-06-16 | Last modified: | 2011-06-04 | Identifier: | 4-(2,7-phenanthrolin-9-yl)phenol |
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![9JZ 9JZ](https://data.pdbj.org/pdbjplus/data/cc/svg/9JZ.svg) | 9JZ | Name: | (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide | Formula: | C28 H38 N6 O3 | SMILES: | O=C(N3C(C(=O)Nc2ccccc2c1ncccn1)C(C)CC3)C(NC(=O)C(NC)C)C4CCCCC4 | InChi: | InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1 | Definition date: | 2009-06-04 | Last modified: | 2011-06-04 | Identifier: | (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide |
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![9NV 9NV](https://data.pdbj.org/pdbjplus/data/cc/svg/9NV.svg) | 9NV | Name: | DANSYL-L-NORVALINE | Formula: | C17 H22 N2 O4 S | SMILES: | O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCC | InChi: | InChI=1S/C17H22N2O4S/c1-4-7-14(17(20)21)18-24(22,23)16-11-6-8-12-13(16)9-5-10-15(12)19(2)3/h5-6,8-11,14,18H,4,7H2,1-3H3,(H,20,21)/t14-/m0/s1 | Definition date: | 2010-10-28 | Last modified: | 2011-06-04 | Identifier: | N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-norvaline |
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![CX4 CX4](https://data.pdbj.org/pdbjplus/data/cc/svg/CX4.svg) | CX4 | Name: | 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine | Formula: | C12 H12 Cl N3 | SMILES: | Clc3ccc1c(ncnc1NCC2CC2)c3 | InChi: | InChI=1S/C12H12ClN3/c13-9-3-4-10-11(5-9)15-7-16-12(10)14-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,14,15,16) | Definition date: | 2009-06-02 | Last modified: | 2011-06-04 | Identifier: | 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine |
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![CXZ CXZ](https://data.pdbj.org/pdbjplus/data/cc/svg/CXZ.svg) | CXZ | Name: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol | Formula: | C19 H20 Cl N3 O4 | SMILES: | Clc1cc(c(O)cc1O)c4noc3c4cc(NCCN2CCOCC2)cc3 | InChi: | InChI=1S/C19H20ClN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2 | Definition date: | 2007-12-14 | Last modified: | 2011-06-04 | Identifier: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol |
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![CY0 CY0](https://data.pdbj.org/pdbjplus/data/cc/svg/CY0.svg) | CY0 | Name: | S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE | Formula: | C20 H21 N5 O3 S | SMILES: | O=C(O)C(N)CSCCC(=O)Nc3cc1c(ncnc1Nc2ccccc2)cc3 | InChi: | InChI=1S/C20H21N5O3S/c21-16(20(27)28)11-29-9-8-18(26)24-14-6-7-17-15(10-14)19(23-12-22-17)25-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11,21H2,(H,24,26)(H,27,28)(H,22,23,25)/t16-/m0/s1 | Definition date: | 2006-09-14 | Last modified: | 2011-06-04 | Identifier: | S-(3-oxo-3-{[4-(phenylamino)quinazolin-6-yl]amino}propyl)-L-cysteine |
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![CY7 CY7](https://data.pdbj.org/pdbjplus/data/cc/svg/CY7.svg) | CY7 | Name: | S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4-(PYRIDIN-2-YLMETHOXY)PHENYL]IMINO}-3-CYANO-7-ETHOXY-1,4-DIHYDROQUINOLIN-6-YL]AMINO}-1-[(DIMETHYLAMINO)METHYL]-3-OXOPROPYL}-L-CYSTEINE | Formula: | C33 H36 Cl N7 O5 S | SMILES: | O=C(O)C(N)CSC(CN(C)C)CC(=O)Nc4c(OCC)cc3c(/C(=N/c2ccc(OCc1ncccc1)c(Cl)c2)C(C#N)=CN3)c4 | InChi: | InChI=1S/C33H36ClN7O5S/c1-4-45-30-14-27-24(13-28(30)40-31(42)12-23(17-41(2)3)47-19-26(36)33(43)44)32(20(15-35)16-38-27)39-21-8-9-29(25(34)11-21)46-18-22-7-5-6-10-37-22/h5-11,13-14,16,23,26H,4,12,17-19,36H2,1-3H3,(H,38,39)(H,40,42)(H,43,44)/t23-,26-/m0/s1 | Definition date: | 2007-07-02 | Last modified: | 2011-06-04 | Identifier: | S-{(1S)-3-{[(4Z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-L-cysteine |
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![CYB CYB](https://data.pdbj.org/pdbjplus/data/cc/svg/CYB.svg) | CYB | Name: | PHYCOUROBILIN | Formula: | C32 H40 N4 O6 | SMILES: | CCC1=CC(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | InChi: | InChI=1S/C32H40N4O6/c1-6-19-12-29(37)35-26(19)14-24-18(5)22(9-11-31(40)41)28(34-24)15-27-21(8-10-30(38)39)17(4)23(33-27)13-25-16(3)20(7-2)32(42)36-25/h12,15,25-26,34H,6-11,13-14H2,1-5H3,(H,35,37)(H,36,42)(H,38,39)(H,40,41)/b27-15-/t25-,26-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 3-(2-[(Z)-(3-(2-carboxyethyl)-5-{[(2S)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene)methyl]-5-{[(2S)-3-ethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid |
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![CYU CYU](https://data.pdbj.org/pdbjplus/data/cc/svg/CYU.svg) | CYU | Name: | CALYCULIN A | Formula: | C50 H81 N4 O15 P | SMILES: | N#CC=C(/C=C/C=C(/C(=C/C(C)C(O)C(C)C(O)CC(OC)C3OC1(OC(C(C(O)C1)C)CC=Cc2nc(oc2)C(C)CCNC(=O)C(O)C(O)C(N(C)C)COC)C(C3OP(=O)(O)O)(C)C)C)C)C | InChi: | InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37?,38-,39+,40-,41-,42+,43?,44?,45+,46-,50+/m0/s1 | Definition date: | 2002-01-16 | Last modified: | 2011-06-04 | Identifier: | (2R,3R,5R,7S,8S,9R)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraen-1-yl]-7-[(2E)-3-{2-[(1S)-3-{[4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino}-1-methylpropyl]-1,3-oxazol-4-yl}prop-2-en-1-yl]-9-hydroxy-4,4,8-trimethyl-1,6-dioxaspiro[4.5]dec-3-yl dihydrogen phosphate (non-preferred name) |
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![D14 D14](https://data.pdbj.org/pdbjplus/data/cc/svg/D14.svg) | D14 | Name: | 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide | Formula: | C26 H29 Cl N6 O3 S | SMILES: | Clc2ccc1cc(ncc1c2)C(=O)NC5CCC(C(=O)N(C)C)CC5NC(=O)c3nc4c(s3)CN(C4)C | InChi: | InChI=1S/C26H29ClN6O3S/c1-32(2)26(36)15-5-7-18(29-23(34)20-9-14-4-6-17(27)8-16(14)11-28-20)19(10-15)30-24(35)25-31-21-12-33(3)13-22(21)37-25/h4,6,8-9,11,15,18-19H,5,7,10,12-13H2,1-3H3,(H,29,34)(H,30,35)/t15-,18-,19+/m0/s1 | Definition date: | 2009-08-06 | Last modified: | 2011-06-04 | Identifier: | 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide |
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![D64 D64](https://data.pdbj.org/pdbjplus/data/cc/svg/D64.svg) | D64 | Name: | 6-(4-methylphenyl)quinazoline-2,4-diamine | Formula: | C15 H14 N4 | SMILES: | n3c1c(cc(cc1)c2ccc(cc2)C)c(nc3N)N | InChi: | InChI=1S/C15H14N4/c1-9-2-4-10(5-3-9)11-6-7-13-12(8-11)14(16)19-15(17)18-13/h2-8H,1H3,(H4,16,17,18,19) | Definition date: | 2008-07-29 | Last modified: | 2011-06-04 | Identifier: | 6-(4-methylphenyl)quinazoline-2,4-diamine |
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![KMB KMB](https://data.pdbj.org/pdbjplus/data/cc/svg/KMB.svg) | KMB | Name: | 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-3H-QUINAZOLIN-4-ONE | Formula: | C16 H16 N4 O S | SMILES: | O=C1c2c(N=C(N1)N)c(cc(c2)CN)CSc3ccccc3 | InChi: | InChI=1S/C16H16N4OS/c17-8-10-6-11(9-22-12-4-2-1-3-5-12)14-13(7-10)15(21)20-16(18)19-14/h1-7H,8-9,17H2,(H3,18,19,20,21) | Definition date: | 2003-08-15 | Last modified: | 2011-06-04 | Identifier: | 2-amino-6-(aminomethyl)-8-[(phenylsulfanyl)methyl]quinazolin-4(3H)-one |
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![KS5 KS5](https://data.pdbj.org/pdbjplus/data/cc/svg/KS5.svg) | KS5 | Name: | 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C17 H16 N6 | SMILES: | n1c(c2c(nc1)n(nc2c4cc3cccnc3cc4)C(C)C)N | InChi: | InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21) | Definition date: | 2008-09-26 | Last modified: | 2011-06-04 | Identifier: | 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![KSM KSM](https://data.pdbj.org/pdbjplus/data/cc/svg/KSM.svg) | KSM | Name: | N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine | Formula: | C22 H23 Cl N6 | SMILES: | Clc1cccc(c1Nc4nc2c(cc(cc2)N3CC(NCC3)C)n5c4cnc5)C | InChi: | InChI=1S/C22H23ClN6/c1-14-4-3-5-17(23)21(14)27-22-20-11-24-13-29(20)19-10-16(6-7-18(19)26-22)28-9-8-25-15(2)12-28/h3-7,10-11,13,15,25H,8-9,12H2,1-2H3,(H,26,27)/t15-/m0/s1 | Definition date: | 2008-04-17 | Last modified: | 2011-06-04 | Identifier: | N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine |
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![0IN 0IN](https://data.pdbj.org/pdbjplus/data/cc/svg/0IN.svg) | 0IN | Name: | 7-(pyridin-3-ylmethyl)quinolin-8-ol | Formula: | C15 H12 N2 O | SMILES: | Oc1c(ccc2cccnc12)Cc3cccnc3 | InChi: | InChI=1S/C15H12N2O/c18-15-13(9-11-3-1-7-16-10-11)6-5-12-4-2-8-17-14(12)15/h1-8,10,18H,9H2 | Definition date: | 2009-09-11 | Last modified: | 2011-06-04 | Identifier: | 7-(pyridin-3-ylmethyl)quinolin-8-ol |
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![L0C L0C](https://data.pdbj.org/pdbjplus/data/cc/svg/L0C.svg) | L0C | Name: | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM | Formula: | C22 H22 F N6 O2 | SMILES: | Fc1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4cc(C[NH]5CCOCC5)ccc4n3 | InChi: | InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)/p+1 | Definition date: | 2008-10-17 | Last modified: | 2011-06-04 | Identifier: | 4-fluoro-N-[3-[6-(1-oxa-4$l^{4}-azacyclohex-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide |
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![L0E L0E](https://data.pdbj.org/pdbjplus/data/cc/svg/L0E.svg) | L0E | Name: | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM | Formula: | C22 H24 N7 O2 | SMILES: | O=C(Nc1ccccc1)Nc2c[nH]nc2c3[nH]c4ccc(C[NH]5CCOCC5)cc4n3 | InChi: | InChI=1S/C22H23N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h1-7,12-13H,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)/p+1 | Definition date: | 2008-10-17 | Last modified: | 2011-06-04 | Identifier: | 3-[3-[5-(1-oxa-4$l^{4}-azacyclohex-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenyl-urea |
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![L0G L0G](https://data.pdbj.org/pdbjplus/data/cc/svg/L0G.svg) | L0G | Name: | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM | Formula: | C19 H25 N7 O2 | SMILES: | O=C(NC1CC1)Nc2cnnc2c4[nH+]c3ccc(cc3n4)C[NH+]5CCOCC5 | InChi: | InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)/p+2 | Definition date: | 2008-10-17 | Last modified: | 2011-06-04 | Identifier: | 2-{4-[(cyclopropylcarbamoyl)amino]-1H-pyrazol-3-yl}-6-(morpholin-4-ium-4-ylmethyl)-1H-3,1-benzimidazol-3-ium |
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![L0I L0I](https://data.pdbj.org/pdbjplus/data/cc/svg/L0I.svg) | L0I | Name: | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM | Formula: | C19 H24 N7 O2 | SMILES: | O=C(NC1CC1)Nc2cnnc2c4nc3ccc(cc3n4)C[NH+]5CCOCC5 | InChi: | InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)/p+1 | Definition date: | 2008-10-17 | Last modified: | 2011-06-04 | Identifier: | 4-[(2-{4-[(cyclopropylcarbamoyl)amino]-1H-pyrazol-3-yl}-1H-benzimidazol-6-yl)methyl]morpholin-4-ium |
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