General Information of the Compound
| Compound ID |
CP0335342
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| Compound Name |
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichloro-3-(2-methoxy-1-pyridin-2-ylmethyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
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| Synonyms |
FR 191413
FR-191413
FR191413
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| Structure |
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| Formula |
C34H31Cl2N7O5
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| Molecular Weight |
688.572
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| Canonical SMILES |
COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc2n1Cc1ccccn1
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| InChI |
InChI=1S/C34H31Cl2N7O5/c1-21(44)40-29-14-10-22(17-38-29)11-15-30(45)39-18-31(46)42(2)26-13-12-25(35)24(32(26)36)20-48-28-9-6-8-27-33(28)41-34(47-3)43(27)19-23-7-4-5-16-37-23/h4-17H,18-20H2,1-3H3,(H,39,45)(H,38,40,44)/b15-11+
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| InChIKey |
KXMCFJQQOFOBKN-RVDMUPIBSA-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
Clinical Information about the Compound