General Information of the Compound
| Compound ID |
CP0546481
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| Compound Name |
propan-2-yl (E)-3-[5-[[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\c1cc(ccc1F)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C35H38FN3O3/c1-24(2)42-34(40)19-13-28-21-31(16-18-33(28)36)39(35(41)27-8-6-5-7-9-27)23-25-10-17-32(29(20-25)22-37)26-11-14-30(15-12-26)38(3)4/h10-21,24,27H,5-9,23H2,1-4H3/b19-13+
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| InChIKey |
QIDNDIDTEBUEPU-CPNJWEJPSA-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