General Information of the Compound
| Compound ID |
CP0918860
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| Compound Name |
(E)-N-({[2,4-Dichloro-3-(2-methyl-4-piperidin-1-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide; Dihydrochloride
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| Structure |
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| Formula |
C38H43Cl6N5O4
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| Molecular Weight |
846.511
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| Canonical SMILES |
Cc1cc(N2CCCCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(N5CCCC5=O)cc4)c3Cl)c2n1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C38H39Cl2N5O4.4ClH/c1-25-22-32(44-19-4-3-5-20-44)28-8-6-9-33(38(28)42-25)49-24-29-30(39)16-17-31(37(29)40)43(2)36(48)23-41-34(46)18-13-26-11-14-27(15-12-26)45-21-7-10-35(45)47;;;;/h6,8-9,11-18,22H,3-5,7,10,19-21,23-24H2,1-2H3,(H,41,46);4*1H/b18-13+;;;;
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| InChIKey |
PTKLHPVDMMTSIK-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