General Information of the Compound
| Compound ID |
CP0406267
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| Compound Name |
Adamantan-1-yl-(4-fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-methanone
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| Structure |
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| Formula |
C24H34FN3O
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| Molecular Weight |
399.554
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC(CC(C4)C2)C3)nc1
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| InChI |
InChI=1S/C24H34FN3O/c1-17-2-3-21(27-14-17)15-26-16-24(25)4-6-28(7-5-24)22(29)23-11-18-8-19(12-23)10-20(9-18)13-23/h2-3,14,18-20,26H,4-13,15-16H2,1H3
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| InChIKey |
OGZIKQIPNDNKTB-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