General Information of the Compound
| Compound ID |
CP0456258
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| Compound Name |
3-bicyclo[3.3.1]nonanyl-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C20H29N3O
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| Molecular Weight |
327.472
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CC2CCCC(C2)C1
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| InChI |
InChI=1S/C20H29N3O/c1-15-14-22(9-10-23(15)19-7-2-3-8-21-19)20(24)18-12-16-5-4-6-17(11-16)13-18/h2-3,7-8,15-18H,4-6,9-14H2,1H3/t15-,16?,17?,18?/m1/s1
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| InChIKey |
DWTUDMHUNLWRAX-VGZZGSPPSA-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