General Information of the Compound
| Compound ID |
CP0249325
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| Compound Name |
4-[(2S)-2-(1,6-dimethylbenzimidazol-2-yl)-2-[2,5-dioxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]ethyl]-N-propan-2-ylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C35H40N6O4
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| Molecular Weight |
608.743
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| Canonical SMILES |
CC(C)NC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1
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| InChI |
InChI=1S/C35H40N6O4/c1-23(2)36-34(43)39-18-16-25(17-19-39)21-31(33-37-29-15-10-24(3)20-30(29)38(33)4)41-32(42)22-40(35(41)44)26-11-13-28(14-12-26)45-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3,(H,36,43)/t31-/m0/s1
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| InChIKey |
FNOPPQSAZKHHOG-HKBQPEDESA-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