General Information of the Compound
| Compound ID |
CP0874688
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| Compound Name |
4-[(E)-2-({1-[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-1H-pyrrol-2-ylmethyl}-carbamoyl)-vinyl]-N-methyl-benzamide hydrochloride
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| Structure |
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| Formula |
C33H29Cl3N4O3
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| Molecular Weight |
635.979
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCc2cccn2-c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1.Cl
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| InChI |
InChI=1S/C33H28Cl2N4O3.ClH/c1-21-8-12-23-5-3-7-29(32(23)38-21)42-20-26-27(34)15-16-28(31(26)35)39-18-4-6-25(39)19-37-30(40)17-11-22-9-13-24(14-10-22)33(41)36-2;/h3-18H,19-20H2,1-2H3,(H,36,41)(H,37,40);1H/b17-11+;
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| InChIKey |
PFCSZUCVSSSYTR-SJDTYFKWSA-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