General Information of the Compound
| Compound ID |
CP0406270
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| Compound Name |
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-(3-hydroxy-adamantan-1-yl)-methanone
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| Structure |
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| Formula |
C24H34FN3O2
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| Molecular Weight |
415.553
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC(CC(O)(C4)C2)C3)nc1
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| InChI |
InChI=1S/C24H34FN3O2/c1-17-2-3-20(27-13-17)14-26-16-23(25)4-6-28(7-5-23)21(29)22-9-18-8-19(10-22)12-24(30,11-18)15-22/h2-3,13,18-19,26,30H,4-12,14-16H2,1H3
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| InChIKey |
NABXRWBUHXDRIU-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