General Information of the Compound
| Compound ID |
CP0522542
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| Compound Name |
(4-(3-benzhydryl-3,8-diazabicyclo[3.2.1]octan-8-yl)piperidin-1-yl)(2,4-dimethylpyridin-3-yl)methanone
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| Structure |
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| Formula |
C32H38N4O
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| Molecular Weight |
494.683
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| Canonical SMILES |
Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1C2CCC1CN(C2)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)36-28-13-14-29(36)22-35(21-28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3
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| InChIKey |
WPATYPNXFWWASD-UHFFFAOYSA-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