General Information of the Compound
| Compound ID |
CP0477799
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| Compound Name |
4-[(2R,5R)-1-benzhydryl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane
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| Structure |
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| Formula |
C28H44N2OSi
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| Molecular Weight |
452.759
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| Canonical SMILES |
C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1
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| InChI |
InChI=1S/C28H44N2OSi/c1-23-22-30(27(24-15-9-7-10-16-24)25-17-11-8-12-18-25)26(21-29-23)19-13-14-20-31-32(5,6)28(2,3)4/h7-12,15-18,23,26-27,29H,13-14,19-22H2,1-6H3/t23-,26-/m1/s1
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| InChIKey |
CSQSGSVJUYCWEB-ZEQKJWHPSA-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