General Information of the Compound
| Compound ID |
CP0922549
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-pyridin-2-ylmethyl-benzamide; Trihydrochloride
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| Structure |
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| Formula |
C38H37Cl3N6O4
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| Molecular Weight |
748.111
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| Canonical SMILES |
Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)NCc5ccccn5)cc4)c3Cl)c2n1.Cl
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| InChI |
InChI=1S/C38H36Cl2N6O4.ClH/c1-24-20-32(45(2)3)28-9-7-10-33(37(28)44-24)50-23-29-30(39)16-17-31(36(29)40)46(4)35(48)22-42-34(47)18-13-25-11-14-26(15-12-25)38(49)43-21-27-8-5-6-19-41-27;/h5-20H,21-23H2,1-4H3,(H,42,47)(H,43,49);1H/b18-13+;
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| InChIKey |
UHRFQXVLKZOQSD-PUBYZPQMSA-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