General Information of the Compound
| Compound ID |
CP0458312
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| Compound Name |
methyl 2-(4-bromophenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-5-oxo-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C26H33BrN2O4
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| Molecular Weight |
517.464
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| Canonical SMILES |
COC(=O)C(CCC(=O)N1CCN(CC1)c1ccccc1OC)(C(C)C)c1ccc(Br)cc1
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| InChI |
InChI=1S/C26H33BrN2O4/c1-19(2)26(25(31)33-4,20-9-11-21(27)12-10-20)14-13-24(30)29-17-15-28(16-18-29)22-7-5-6-8-23(22)32-3/h5-12,19H,13-18H2,1-4H3
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| InChIKey |
DYXWAEVVVRIZRB-UHFFFAOYSA-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: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G