General Information of the Compound
| Compound ID |
CP0860696
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(4-imidazol-1-yl-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-pyridin-4-yl-benzamide; trihydrochloride
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| Structure |
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| Formula |
C38H32Cl3N7O4
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| Molecular Weight |
757.078
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| Canonical SMILES |
Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)Nc5ccncc5)cc4)c3Cl)c2n1.Cl
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| InChI |
InChI=1S/C38H31Cl2N7O4.ClH/c1-24-20-32(47-19-18-42-23-47)28-4-3-5-33(37(28)44-24)51-22-29-30(39)11-12-31(36(29)40)46(2)35(49)21-43-34(48)13-8-25-6-9-26(10-7-25)38(50)45-27-14-16-41-17-15-27;/h3-20,23H,21-22H2,1-2H3,(H,43,48)(H,41,45,50);1H/b13-8+;
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| InChIKey |
MPJXXENGJKFXAV-FNXZNAJJSA-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