General Information of the Compound
| Compound ID |
CP0435082
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| Compound Name |
methyl 5-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-(4-bromophenyl)-5-oxo-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C26H32BrN3O3
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| Molecular Weight |
514.464
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| Canonical SMILES |
COC(=O)C(CCC(=O)N(C)CCCc1nc2ccccc2[nH]1)(C(C)C)c1ccc(Br)cc1
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| InChI |
InChI=1S/C26H32BrN3O3/c1-18(2)26(25(32)33-4,19-11-13-20(27)14-12-19)16-15-24(31)30(3)17-7-10-23-28-21-8-5-6-9-22(21)29-23/h5-6,8-9,11-14,18H,7,10,15-17H2,1-4H3,(H,28,29)
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| InChIKey |
GLOKEGVIMFVYSX-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