General Information of the Compound
| Compound ID |
CP0912576
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| Compound Name |
4-{2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-pyridin-4-yl-benzamide dihydrochloride
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| Structure |
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| Formula |
C35H31Cl4N5O4
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| Molecular Weight |
727.476
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)Nc5ccncc5)cc4)c3Cl)c2n1.Cl.Cl
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| InChI |
InChI=1S/C35H29Cl2N5O4.2ClH/c1-22-6-10-24-4-3-5-30(34(24)40-22)46-21-27-28(36)13-14-29(33(27)37)42(2)32(44)20-39-31(43)15-9-23-7-11-25(12-8-23)35(45)41-26-16-18-38-19-17-26;;/h3-19H,20-21H2,1-2H3,(H,39,43)(H,38,41,45);2*1H/b15-9+;;
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| InChIKey |
PPELBCLJAHOUFC-CBNWXSEKSA-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