General Information of the Compound
| Compound ID |
CP0946244
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| Compound Name |
N-(5-{2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-pyridin-2-yl)-isonicotinamide; trihydrochloride
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| Structure |
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| Formula |
C34H31Cl5N6O4
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| Molecular Weight |
764.925
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(=O)c5ccncc5)nc4)c3Cl)c2n1.Cl.Cl.Cl
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| InChI |
InChI=1S/C34H28Cl2N6O4.3ClH/c1-21-6-9-23-4-3-5-28(33(23)40-21)46-20-25-26(35)10-11-27(32(25)36)42(2)31(44)19-39-30(43)13-8-22-7-12-29(38-18-22)41-34(45)24-14-16-37-17-15-24;;;/h3-18H,19-20H2,1-2H3,(H,39,43)(H,38,41,45);3*1H/b13-8+;;;
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| InChIKey |
SLBQSIFRAAEDMQ-YKWNPSABSA-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