General Information of the Compound
| Compound ID |
CP0536151
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| Compound Name |
4-[(2R,5R)-1-benzhydryl-5-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane
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| Structure |
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| Formula |
C35H47F3N2O3SSi
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| Molecular Weight |
660.919
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| Canonical SMILES |
C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C35H47F3N2O3SSi/c1-27-25-39(33(28-15-9-7-10-16-28)29-17-11-8-12-18-29)31(19-13-14-24-43-45(5,6)34(2,3)4)26-40(27)44(41,42)32-22-20-30(21-23-32)35(36,37)38/h7-12,15-18,20-23,27,31,33H,13-14,19,24-26H2,1-6H3/t27-,31-/m1/s1
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| InChIKey |
RWDIOWWAMTWMQC-DLFZDVPBSA-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