General Information of the Compound
| Compound ID |
CP0895186
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| Compound Name |
4-((E)-2-{[({2,4-Dichloro-3-[4-(2-methoxy-ethylamino)-2-methyl-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-carbamoyl}-vinyl)-N-methyl-benzamide; Dihydrochloride
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| Structure |
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| Formula |
C34H39Cl6N5O5
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| Molecular Weight |
810.434
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCCOC)cc(C)nc34)c2Cl)cc1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C34H35Cl2N5O5.4ClH/c1-21-18-27(38-16-17-45-4)24-6-5-7-29(33(24)40-21)46-20-25-26(35)13-14-28(32(25)36)41(3)31(43)19-39-30(42)15-10-22-8-11-23(12-9-22)34(44)37-2;;;;/h5-15,18H,16-17,19-20H2,1-4H3,(H,37,44)(H,38,40)(H,39,42);4*1H/b15-10+;;;;
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| InChIKey |
SBIWOKLKNSLKFP-VYYKFXENSA-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