General Information of the Compound
| Compound ID |
CP0428993
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| Compound Name |
N-[(2R)-3-naphthalen-2-yl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C36H44N6O3
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| Molecular Weight |
608.787
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| Canonical SMILES |
O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C36H44N6O3/c43-34(40-20-14-29(15-21-40)39-18-6-1-7-19-39)32(25-26-12-13-27-8-2-3-9-28(27)24-26)38-35(44)41-22-16-30(17-23-41)42-33-11-5-4-10-31(33)37-36(42)45/h2-5,8-13,24,29-30,32H,1,6-7,14-23,25H2,(H,37,45)(H,38,44)/t32-/m1/s1
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| InChIKey |
LJKCPRJTSAUESM-JGCGQSQUSA-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