![6D5 6D5](https://data.pdbj.org/pdbjplus/data/cc/svg/6D5.svg) | 6D5 | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid | Formula: | C17 H26 N10 O5 | SMILES: | N[CH](CCN(CCCN=[N+]=[N-])C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O | InChi: | InChI=1S/C17H26N10O5/c18-9(17(30)31)2-5-26(4-1-3-24-25-20)6-10-12(28)13(29)16(32-10)27-8-23-11-14(19)21-7-22-15(11)27/h7-10,12-13,16,28-29H,1-6,18H2,(H,30,31)(H2,19,21,22)/t9-,10+,12+,13+,16+/m0/s1 | Definition date: | 2016-03-16 | Last modified: | 2018-02-27 | Release date: | 2017-03-15 | Identifier: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid |
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![6XM 6XM](https://data.pdbj.org/pdbjplus/data/cc/svg/6XM.svg) | 6XM | Name: | 8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate | Formula: | C31 H34 N4 O3 | SMILES: | C1CN(CCO1)CCN2c3cccc4Oc5cccc6N(CCN7CCOCC7)c8cccc2c8[CH](c34)c56 | InChi: | InChI=1S/C31H34N4O3/c1-4-22-28-23(5-1)35(13-11-33-16-20-37-21-17-33)25-7-3-9-27-30(25)31(28)29-24(6-2-8-26(29)38-27)34(22)12-10-32-14-18-36-19-15-32/h1-9,31H,10-21H2 | Definition date: | 2016-07-15 | Last modified: | 2018-02-27 | Release date: | 2016-09-14 |
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![J27 J27](https://data.pdbj.org/pdbjplus/data/cc/svg/J27.svg) | J27 | Name: | [3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium | Formula: | C14 H14 Cl F N | SMILES: | Cc1cc(F)ccc1c2ccc(C[NH3+])cc2Cl | InChi: | InChI=1S/C14H13ClFN/c1-9-6-11(16)3-5-12(9)13-4-2-10(8-17)7-14(13)15/h2-7H,8,17H2,1H3/p+1 | Definition date: | 2017-08-17 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium |
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![OL3 OL3](https://data.pdbj.org/pdbjplus/data/cc/svg/OL3.svg) | OL3 | Name: | N-biotin-C-Co4(mu3-O)4(OAc)(Py)4(H2O)3-beta-alanine | Formula: | C35 H45 Co4 N7 O13 S | SMILES: | O.O.O.CC1O[Co]2O[Co](O1)O[Co]3OC(CCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)O[Co](O2)O3.c6ccncc6.c7ccncc7.c8ccncc8.c9ccncc9 | InChi: | InChI=1S/C13H21N3O4S.4C5H5N.C2H4O2.4Co.3H2O.4O/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12 | Definition date: | 2017-09-20 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 |
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![OL4 OL4](https://data.pdbj.org/pdbjplus/data/cc/svg/OL4.svg) | OL4 | Name: | N-biotin-C-Co4(mu3-O)4(Py)3(H2O)4-beta-alanine | Formula: | C28 H36 Co4 N6 O12 S | SMILES: | O.O.O.O.O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCC3O[Co]4O[Co]O[Co]O[Co](O3)O4.c5ccncc5.c6ccncc6.c7ccncc7 | InChi: | InChI=1S/C13H21N3O4S.3C5H5N.4Co.4H2O.4O/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12 | Definition date: | 2017-09-21 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 |
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![OL5 OL5](https://data.pdbj.org/pdbjplus/data/cc/svg/OL5.svg) | OL5 | Name: | N-biotin-C-Co4(mu3-O)4(OAc)(Py)3(H2O)3-beta-alanine | Formula: | C30 H40 Co4 N6 O13 S | SMILES: | O.O.O.CC1O[Co]2O[Co](O1)O[Co]3OC(CCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)O[Co](O2)O3.c6ccncc6.c7ccncc7.c8ccncc8 | InChi: | InChI=1S/C13H21N3O4S.3C5H5N.C2H4O2.4Co.3H2O.4O/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12 | Definition date: | 2017-09-20 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 |
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![OLS OLS](https://data.pdbj.org/pdbjplus/data/cc/svg/OLS.svg) | OLS | Name: | N-biotin-C-Co4(mu3-O)4(Py)4(H2O)4-beta-alanine | Formula: | C33 H41 Co4 N7 O12 S | SMILES: | O.O.O.O.O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCC3O[Co]4O[Co]O[Co]O[Co](O3)O4.c5ccncc5.c6ccncc6.c7ccncc7.c8ccncc8 | InChi: | InChI=1S/C13H21N3O4S.4C5H5N.4Co.4H2O.4O/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12 | Definition date: | 2017-09-20 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 |
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![9LH 9LH](https://data.pdbj.org/pdbjplus/data/cc/svg/9LH.svg) | 9LH | Name: | Tunicamycin | Formula: | C38 H62 N4 O16 | SMILES: | CC(C)CCCCCCCCCC=CC(=O)N[CH]1[CH](O)[CH](O)[CH](C[CH](O)[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)O[CH]1O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4NC(C)=O | InChi: | InChI=1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1 | Definition date: | 2017-06-01 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | (~{E})-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(2~{R})-2-[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl]-4,5-bis(oxidanyl)oxan-3-yl]-13-methyl-tetradec-2-enamide |
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![9XE 9XE](https://data.pdbj.org/pdbjplus/data/cc/svg/9XE.svg) | 9XE | Name: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{H}-quinolin-4-one | Formula: | C23 H17 F3 N2 O3 | SMILES: | COc1ccc2c(NC(=C(C)C2=O)c3cncc(c3)c4ccc(OC(F)(F)F)cc4)c1 | InChi: | InChI=1S/C23H17F3N2O3/c1-13-21(28-20-10-18(30-2)7-8-19(20)22(13)29)16-9-15(11-27-12-16)14-3-5-17(6-4-14)31-23(24,25)26/h3-12H,1-2H3,(H,28,29) | Definition date: | 2017-07-25 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{H}-quinolin-4-one |
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![N7N N7N](https://data.pdbj.org/pdbjplus/data/cc/svg/N7N.svg) | N7N | Name: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid | Formula: | C25 H30 N4 O6 | SMILES: | OC[CH](CC(O)=O)NC(=O)[CH]1CC[CH]2CCCC[CH](NC(=O)c3nccc4ccccc34)C(=O)N12 | InChi: | InChI=1S/C25H30N4O6/c30-14-16(13-21(31)32)27-23(33)20-10-9-17-6-2-4-8-19(25(35)29(17)20)28-24(34)22-18-7-3-1-5-15(18)11-12-26-22/h1,3,5,7,11-12,16-17,19-20,30H,2,4,6,8-10,13-14H2,(H,27,33)(H,28,34)(H,31,32)/t16-,17-,19-,20-/m0/s1 | Definition date: | 2017-01-09 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid |
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![A4B A4B](https://data.pdbj.org/pdbjplus/data/cc/svg/A4B.svg) | A4B | Name: | [3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine | Formula: | C14 H14 Cl N O | SMILES: | COc1ccccc1c2ccc(CN)cc2Cl | InChi: | InChI=1S/C14H14ClNO/c1-17-14-5-3-2-4-12(14)11-7-6-10(9-16)8-13(11)15/h2-8H,9,16H2,1H3 | Definition date: | 2017-08-14 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine |
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![A4N A4N](https://data.pdbj.org/pdbjplus/data/cc/svg/A4N.svg) | A4N | Name: | [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine | Formula: | C14 H14 Cl N | SMILES: | Cc1ccccc1c2ccc(CN)cc2Cl | InChi: | InChI=1S/C14H14ClN/c1-10-4-2-3-5-12(10)13-7-6-11(9-16)8-14(13)15/h2-8H,9,16H2,1H3 | Definition date: | 2017-08-16 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine |
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![A4Q A4Q](https://data.pdbj.org/pdbjplus/data/cc/svg/A4Q.svg) | A4Q | Name: | [3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine | Formula: | C15 H16 Cl N | SMILES: | CCc1ccccc1c2ccc(CN)cc2Cl | InChi: | InChI=1S/C15H16ClN/c1-2-12-5-3-4-6-13(12)14-8-7-11(10-17)9-15(14)16/h3-9H,2,10,17H2,1H3 | Definition date: | 2017-08-16 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine |
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![A4T A4T](https://data.pdbj.org/pdbjplus/data/cc/svg/A4T.svg) | A4T | Name: | [3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine | Formula: | C13 H11 Cl F N | SMILES: | NCc1ccc(c(Cl)c1)c2ccccc2F | InChi: | InChI=1S/C13H11ClFN/c14-12-7-9(8-16)5-6-10(12)11-3-1-2-4-13(11)15/h1-7H,8,16H2 | Definition date: | 2017-08-16 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine |
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![A8Q A8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/A8Q.svg) | A8Q | Name: | [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium | Formula: | C16 H19 Cl N | SMILES: | CC(C)c1ccccc1c2ccc(C[NH3+])cc2Cl | InChi: | InChI=1S/C16H18ClN/c1-11(2)13-5-3-4-6-14(13)15-8-7-12(10-18)9-16(15)17/h3-9,11H,10,18H2,1-2H3/p+1 | Definition date: | 2017-08-17 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium |
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![A9K A9K](https://data.pdbj.org/pdbjplus/data/cc/svg/A9K.svg) | A9K | Name: | 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol | Formula: | C13 H12 Cl N O | SMILES: | NCc1ccc(c(Cl)c1)c2ccccc2O | InChi: | InChI=1S/C13H12ClNO/c14-12-7-9(8-15)5-6-10(12)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2 | Definition date: | 2017-08-18 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol |
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![AQ8 AQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/AQ8.svg) | AQ8 | Name: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine | Formula: | C25 H26 Cl N3 O | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4cccc(OC)c4n3)cc2Cl | InChi: | InChI=1S/C25H26ClN3O/c1-3-18-7-4-5-8-19(18)20-12-11-17(15-21(20)26)16-27-14-13-24-28-22-9-6-10-23(30-2)25(22)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29) | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine |
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![AQT AQT](https://data.pdbj.org/pdbjplus/data/cc/svg/AQT.svg) | AQT | Name: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine | Formula: | C25 H26 Cl N3 O | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(OC)cc4n3)cc2Cl | InChi: | InChI=1S/C25H26ClN3O/c1-3-18-6-4-5-7-20(18)21-10-8-17(14-22(21)26)16-27-13-12-25-28-23-11-9-19(30-2)15-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29) | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine |
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![AQW AQW](https://data.pdbj.org/pdbjplus/data/cc/svg/AQW.svg) | AQW | Name: | 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine | Formula: | C24 H23 Cl2 N3 | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(Cl)cc4n3)cc2Cl | InChi: | InChI=1S/C24H23Cl2N3/c1-2-17-5-3-4-6-19(17)20-9-7-16(13-21(20)26)15-27-12-11-24-28-22-10-8-18(25)14-23(22)29-24/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29) | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine |
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![AU8 AU8](https://data.pdbj.org/pdbjplus/data/cc/svg/AU8.svg) | AU8 | Name: | [3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium | Formula: | C13 H12 Cl2 N | SMILES: | [NH3+]Cc1cc(Cl)c(c(Cl)c1)c2ccccc2 | InChi: | InChI=1S/C13H11Cl2N/c14-11-6-9(8-16)7-12(15)13(11)10-4-2-1-3-5-10/h1-7H,8,16H2/p+1 | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium |
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![AUH AUH](https://data.pdbj.org/pdbjplus/data/cc/svg/AUH.svg) | AUH | Name: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine | Formula: | C25 H27 N3 O | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2OC | InChi: | InChI=1S/C25H27N3O/c1-3-19-8-4-5-9-20(19)21-13-12-18(16-24(21)29-2)17-26-15-14-25-27-22-10-6-7-11-23(22)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28) | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine |
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![AUT AUT](https://data.pdbj.org/pdbjplus/data/cc/svg/AUT.svg) | AUT | Name: | [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine | Formula: | C15 H15 Cl2 N | SMILES: | CCc1ccccc1c2c(Cl)cc(CN)cc2Cl | InChi: | InChI=1S/C15H15Cl2N/c1-2-11-5-3-4-6-12(11)15-13(16)7-10(9-18)8-14(15)17/h3-8H,2,9,18H2,1H3 | Definition date: | 2017-08-23 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine |
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![AUW AUW](https://data.pdbj.org/pdbjplus/data/cc/svg/AUW.svg) | AUW | Name: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine | Formula: | C24 H23 Cl2 N3 | SMILES: | CCc1ccccc1c2c(Cl)cc(CNCCc3[nH]c4ccccc4n3)cc2Cl | InChi: | InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29) | Definition date: | 2017-08-23 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine |
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![AVK AVK](https://data.pdbj.org/pdbjplus/data/cc/svg/AVK.svg) | AVK | Name: | ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine | Formula: | C18 H18 Cl N3 | SMILES: | Clc1cc(CNCCc2[nH]ccn2)ccc1c3ccccc3 | InChi: | InChI=1S/C18H18ClN3/c19-17-12-14(13-20-9-8-18-21-10-11-22-18)6-7-16(17)15-4-2-1-3-5-15/h1-7,10-12,20H,8-9,13H2,(H,21,22) | Definition date: | 2017-08-24 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine |
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![AVZ AVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/AVZ.svg) | AVZ | Name: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium | Formula: | C18 H19 Cl N3 | SMILES: | Clc1cc(C[NH2+]CCc2c[nH]cn2)ccc1c3ccccc3 | InChi: | InChI=1S/C18H18ClN3/c19-18-10-14(11-20-9-8-16-12-21-13-22-16)6-7-17(18)15-4-2-1-3-5-15/h1-7,10,12-13,20H,8-9,11H2,(H,21,22)/p+1 | Definition date: | 2017-08-24 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium |
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