General Information of the Compound
| Compound ID |
CP0406360
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| Compound Name |
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-{[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenylcarbamoyl]-methyl}-acrylamide
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| Structure |
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| Formula |
C29H25Cl2N5O4
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| Molecular Weight |
578.456
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| Canonical SMILES |
CC(=O)Nc1ccc(\C=C\C(=O)NCC(=O)Nc2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cn1
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| InChI |
InChI=1S/C29H25Cl2N5O4/c1-17-6-9-20-4-3-5-24(29(20)34-17)40-16-21-22(30)10-11-23(28(21)31)36-27(39)15-33-26(38)13-8-19-7-12-25(32-14-19)35-18(2)37/h3-14H,15-16H2,1-2H3,(H,33,38)(H,36,39)(H,32,35,37)/b13-8+
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| InChIKey |
NBCISQDBUPJLTO-MDWZMJQESA-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