General Information of the Compound
| Compound ID |
CP0477788
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| Compound Name |
1-adamantyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C21H29N3O
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| Molecular Weight |
339.483
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1
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| InChI |
InChI=1S/C21H29N3O/c1-15-14-23(19-4-2-3-5-22-19)6-7-24(15)20(25)21-11-16-8-17(12-21)10-18(9-16)13-21/h2-5,15-18H,6-14H2,1H3/t15-,16?,17?,18?,21?/m1/s1
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| InChIKey |
QLBRKEIFTLOTOG-NEFAXPCMSA-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