General Information of the Compound
| Compound ID |
CP0825869
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-propoxy-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide hydrochloride
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| Structure |
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| Formula |
C34H35Cl3N4O5
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| Molecular Weight |
686.036
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| Canonical SMILES |
CCCOc1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)NC)cc4)c3Cl)cccc12.Cl
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| InChI |
InChI=1S/C34H34Cl2N4O5.ClH/c1-5-17-44-29-18-21(2)39-33-24(29)7-6-8-28(33)45-20-25-26(35)14-15-27(32(25)36)40(4)31(42)19-38-30(41)16-11-22-9-12-23(13-10-22)34(43)37-3;/h6-16,18H,5,17,19-20H2,1-4H3,(H,37,43)(H,38,41);1H/b16-11+;
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| InChIKey |
JEBCHFGEHPVILP-YFMOEUEHSA-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