General Information of the Compound
| Compound ID |
CP0375435
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| Compound Name |
3-[(2R,5R)-1-benzhydryl-5-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]propoxy-tert-butyl-dimethylsilane
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| Structure |
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| Formula |
C34H48N2O3SSi
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| Molecular Weight |
592.922
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| Canonical SMILES |
C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCO[Si](C)(C)C(C)(C)C)CN1S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C34H48N2O3SSi/c1-27-20-22-32(23-21-27)40(37,38)36-26-31(19-14-24-39-41(6,7)34(3,4)5)35(25-28(36)2)33(29-15-10-8-11-16-29)30-17-12-9-13-18-30/h8-13,15-18,20-23,28,31,33H,14,19,24-26H2,1-7H3/t28-,31-/m1/s1
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| InChIKey |
NRMPNMJREQCJAD-GRKNLSHJSA-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