General Information of the Compound
| Compound ID |
CP0564629
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| Compound Name |
propan-2-yl (E)-3-[3-[[3-cyano-4-[4-(dimethylamino)phenyl]phenyl]methyl-(cyclohexanecarbonyl)amino]-2-fluorophenyl]prop-2-enoate
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| Structure |
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| Formula |
C35H38FN3O3
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| Molecular Weight |
567.705
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| Canonical SMILES |
CC(C)OC(=O)\C=C\c1cccc(N(Cc2ccc(-c3ccc(cc3)N(C)C)c(c2)C#N)C(=O)C2CCCCC2)c1F
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| InChI |
InChI=1S/C35H38FN3O3/c1-24(2)42-33(40)20-16-27-11-8-12-32(34(27)36)39(35(41)28-9-6-5-7-10-28)23-25-13-19-31(29(21-25)22-37)26-14-17-30(18-15-26)38(3)4/h8,11-21,24,28H,5-7,9-10,23H2,1-4H3/b20-16+
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| InChIKey |
OWGZODPWWIQKIS-CAPFRKAQSA-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