General Information of the Compound
| Compound ID |
CP0406268
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| Compound Name |
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-(hexahydro-2,5-methano-pentalen-3a-yl)-methanone
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| Structure |
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| Formula |
C23H32FN3O
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| Molecular Weight |
385.527
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC2CC(C3)C4)nc1
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| InChI |
InChI=1S/C23H32FN3O/c1-16-2-3-20(26-13-16)14-25-15-22(24)4-6-27(7-5-22)21(28)23-11-17-8-18(12-23)10-19(23)9-17/h2-3,13,17-19,25H,4-12,14-15H2,1H3
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| InChIKey |
IJTCNSQAGSIBJW-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