General Information of the Compound
| Compound ID |
CP0531964
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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,N-diethylbenzamide
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| Structure |
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| Formula |
C37H37N5O4
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| Molecular Weight |
615.734
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)cc1
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| InChI |
InChI=1S/C37H37N5O4/c1-5-40(6-2)36(44)27-15-13-26(14-16-27)23-33(35-38-31-21-12-25(3)22-32(31)39(35)4)42-34(43)24-41(37(42)45)28-17-19-30(20-18-28)46-29-10-8-7-9-11-29/h7-22,33H,5-6,23-24H2,1-4H3/t33-/m0/s1
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| InChIKey |
OEZWJHVEIHQEOG-XIFFEERXSA-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