General Information of the Compound
| Compound ID |
CP0950401
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| Compound Name |
(R)-N-(1-((1-oxo-3-phenyl-1-((1-((tetrahydro-2H-pyran-4-yl)methyl)piperidin-4-yl)methylamino)propan-2-yl)carbamoyl)cyclopentyl)-4-butoxybenzamide
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| Structure |
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| Formula |
C38H54N4O5
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| Molecular Weight |
646.873
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| Canonical SMILES |
CCCCOc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1
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| InChI |
InChI=1S/C38H54N4O5/c1-2-3-23-47-33-13-11-32(12-14-33)35(43)41-38(19-7-8-20-38)37(45)40-34(26-29-9-5-4-6-10-29)36(44)39-27-30-15-21-42(22-16-30)28-31-17-24-46-25-18-31/h4-6,9-14,30-31,34H,2-3,7-8,15-28H2,1H3,(H,39,44)(H,40,45)(H,41,43)/t34-/m1/s1
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| InChIKey |
RFNKVYLPSYNSEM-UUWRZZSWSA-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