General Information of the Compound
| Compound ID |
CP0829541
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| Compound Name |
[(S)-3-amino-4-(4-{1-[2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonylamino]-cyclopentanecarbonyl}-piperazin-1-yl)-4-oxo-butyl]-trimethyl-ammonium
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| Structure |
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| Formula |
C35H47Cl2N6O5S+
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| Molecular Weight |
734.771
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CC[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C35H47Cl2N6O5S/c1-23-21-24(2)39-32-25(23)9-8-10-29(32)48-22-26-27(36)11-12-30(31(26)37)49(46,47)40-35(14-6-7-15-35)34(45)42-18-16-41(17-19-42)33(44)28(38)13-20-43(3,4)5/h8-12,21,28,40H,6-7,13-20,22,38H2,1-5H3/q+1/t28-/m0/s1
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| InChIKey |
HJPYQPWVTVOICU-NDEPHWFRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound