General Information of the Compound
| Compound ID |
CP0577647
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| Compound Name |
methyl (E)-3-[3-[[3-cyano-4-[4-(dimethylamino)phenyl]phenyl]methyl-(cyclohexanecarbonyl)amino]-5-fluorophenyl]prop-2-enoate
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| Structure |
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| Formula |
C33H34FN3O3
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| Molecular Weight |
539.651
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| Canonical SMILES |
COC(=O)\C=C\c1cc(F)cc(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C33H34FN3O3/c1-36(2)29-13-11-25(12-14-29)31-15-9-24(17-27(31)21-35)22-37(33(39)26-7-5-4-6-8-26)30-19-23(18-28(34)20-30)10-16-32(38)40-3/h9-20,26H,4-8,22H2,1-3H3/b16-10+
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| InChIKey |
WXZAVUGDTXCGLW-MHWRWJLKSA-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