General Information of the Compound
| Compound ID |
CP0544662
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| Compound Name |
N-[(2R)-4-(4-hydroxyphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-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 |
Oc1ccc(CC[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1
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| InChI |
InChI=1S/C33H44N6O4/c40-27-11-8-24(9-12-27)10-13-29(31(41)37-20-14-25(15-21-37)36-18-4-1-5-19-36)35-32(42)38-22-16-26(17-23-38)39-30-7-3-2-6-28(30)34-33(39)43/h2-3,6-9,11-12,25-26,29,40H,1,4-5,10,13-23H2,(H,34,43)(H,35,42)/t29-/m1/s1
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| InChIKey |
GGDOSSMCXZDNEU-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