General Information of the Compound
| Compound ID |
CP0321601
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| Compound Name |
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[3-(1-benzyl-2-methoxy-1H-benzoimidazol-4-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
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| Structure |
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| Formula |
C35H32Cl2N6O5
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| Molecular Weight |
687.584
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| Canonical SMILES |
COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C35H32Cl2N6O5/c1-22(44)40-30-16-12-23(18-38-30)13-17-31(45)39-19-32(46)42(2)27-15-14-26(36)25(33(27)37)21-48-29-11-7-10-28-34(29)41-35(47-3)43(28)20-24-8-5-4-6-9-24/h4-18H,19-21H2,1-3H3,(H,39,45)(H,38,40,44)/b17-13+
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| InChIKey |
UQZKWICEEMTXKM-GHRIWEEISA-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