General Information of the Compound
| Compound ID |
CP0428992
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| Compound Name |
N-[(2R)-3-(4-methoxyphenyl)-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 |
C33H44N6O4
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| Molecular Weight |
588.753
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| Canonical SMILES |
COc1ccc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1
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| InChI |
InChI=1S/C33H44N6O4/c1-43-27-11-9-24(10-12-27)23-29(31(40)37-19-13-25(14-20-37)36-17-5-2-6-18-36)35-32(41)38-21-15-26(16-22-38)39-30-8-4-3-7-28(30)34-33(39)42/h3-4,7-12,25-26,29H,2,5-6,13-23H2,1H3,(H,34,42)(H,35,41)/t29-/m1/s1
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| InChIKey |
RXMBCEUXOZKTFW-GDLZYMKVSA-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