General Information of the Compound
| Compound ID |
CP0869895
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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)-5-butylpicolinamide
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| Structure |
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| Formula |
C37H53N5O4
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| Molecular Weight |
631.862
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| Canonical SMILES |
CCCCc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)nc1
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| InChI |
InChI=1S/C37H53N5O4/c1-2-3-9-29-12-13-32(38-25-29)35(44)41-37(18-7-8-19-37)36(45)40-33(24-28-10-5-4-6-11-28)34(43)39-26-30-14-20-42(21-15-30)27-31-16-22-46-23-17-31/h4-6,10-13,25,30-31,33H,2-3,7-9,14-24,26-27H2,1H3,(H,39,43)(H,40,45)(H,41,44)/t33-/m1/s1
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| InChIKey |
NUEAGESSSAENGD-MGBGTMOVSA-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