General Information of the Compound
| Compound ID |
CP0417337
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| Compound Name |
1-[(4-chloro-2-fluorophenyl)methyl]-N-(cyclohexylmethyl)piperidin-4-amine
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| Structure |
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| Formula |
C19H28ClFN2
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| Molecular Weight |
338.898
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| Canonical SMILES |
Fc1cc(Cl)ccc1CN1CCC(CC1)NCC1CCCCC1
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| InChI |
InChI=1S/C19H28ClFN2/c20-17-7-6-16(19(21)12-17)14-23-10-8-18(9-11-23)22-13-15-4-2-1-3-5-15/h6-7,12,15,18,22H,1-5,8-11,13-14H2
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| InChIKey |
PBIJAWXLPNVFHY-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