General Information of the Compound
| Compound ID |
CP0915790
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-1-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide; Dihydrochloride
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| Structure |
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| Formula |
C37H43Cl6N5O4
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| Molecular Weight |
834.5
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| Canonical SMILES |
Cc1cc(N2CCCCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2n1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C37H39Cl2N5O4.4ClH/c1-24-21-31(44-19-6-5-7-20-44)27-9-8-10-32(36(27)41-24)48-23-28-29(38)16-17-30(35(28)39)43(4)34(46)22-40-33(45)18-13-25-11-14-26(15-12-25)37(47)42(2)3;;;;/h8-18,21H,5-7,19-20,22-23H2,1-4H3,(H,40,45);4*1H/b18-13+;;;;
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| InChIKey |
XQKJTCHORCOKQP-ZFIHAFTNSA-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