General Information of the Compound
| Compound ID |
CP0576070
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| Compound Name |
3-[(1S)-1-(1-cyclopropylbenzimidazol-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]-1-[4-(4-fluorophenoxy)phenyl]imidazolidine-2,4-dione
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| Formula |
C36H38FN5O4
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| Molecular Weight |
623.729
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| Canonical SMILES |
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccccc3n2C2CC2)CC1
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| InChI |
InChI=1S/C36H38FN5O4/c1-23(2)35(44)39-19-17-24(18-20-39)21-32(34-38-30-5-3-4-6-31(30)41(34)27-9-10-27)42-33(43)22-40(36(42)45)26-11-15-29(16-12-26)46-28-13-7-25(37)8-14-28/h3-8,11-16,23-24,27,32H,9-10,17-22H2,1-2H3/t32-/m0/s1
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| InChIKey |
LGDOSDLMVJDFKU-YTTGMZPUSA-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