General Information of the Compound
| Compound ID |
CP0493787
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| Compound Name |
((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)(pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C29H41N5O
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| Molecular Weight |
475.681
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| Canonical SMILES |
CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)N2CCCC2)CC1)c1ccccn1
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| InChI |
InChI=1S/C29H41N5O/c1-2-16-34(28-12-6-7-15-30-28)26-13-19-31(20-14-26)21-25-22-33(29(35)32-17-8-9-18-32)23-27(25)24-10-4-3-5-11-24/h3-7,10-12,15,25-27H,2,8-9,13-14,16-23H2,1H3/t25-,27+/m0/s1
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| InChIKey |
VFWZVVDVMDAVKC-AHKZPQOWSA-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