General Information of the Compound
| Compound ID |
CP0433690
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| Compound Name |
(2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
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| Structure |
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| Formula |
C26H26F4N2O2S
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| Molecular Weight |
506.565
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H26F4N2O2S/c1-19-16-31(17-21-7-11-23(27)12-8-21)24(15-20-5-3-2-4-6-20)18-32(19)35(33,34)25-13-9-22(10-14-25)26(28,29)30/h2-14,19,24H,15-18H2,1H3/t19-,24-/m1/s1
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| InChIKey |
FNECVHUNSRSWMN-NTKDMRAZSA-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