General Information of the Compound
| Compound ID |
CP0489343
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| Compound Name |
(2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine
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| Structure |
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| Formula |
C19H23FN2
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| Molecular Weight |
298.405
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1
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| InChI |
InChI=1S/C19H23FN2/c1-15-13-22(14-17-7-9-18(20)10-8-17)19(12-21-15)11-16-5-3-2-4-6-16/h2-10,15,19,21H,11-14H2,1H3/t15-,19-/m1/s1
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| InChIKey |
MNBKMUORCGGRKI-DNVCBOLYSA-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
Protein ID: PT04580, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT02836, Voltage-dependent N-type calcium channel subunit alpha-1B