General Information of the Compound
| Compound ID |
CP0392225
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| Compound Name |
[(1S,2R,4R)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-4-methoxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methylpropanoate
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| Structure |
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| Formula |
C31H42FN3O3
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| Molecular Weight |
523.693
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| Canonical SMILES |
CO[C@@H]1C[C@@](CCN(C)CCCc2nc3ccccc3[nH]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc12
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| InChI |
InChI=1S/C31H42FN3O3/c1-20(2)29-23-14-13-22(32)18-24(23)27(37-6)19-31(29,38-30(36)21(3)4)15-17-35(5)16-9-12-28-33-25-10-7-8-11-26(25)34-28/h7-8,10-11,13-14,18,20-21,27,29H,9,12,15-17,19H2,1-6H3,(H,33,34)/t27-,29+,31-/m1/s1
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| InChIKey |
HQBVENHUOCSWIS-SXQNJKPJSA-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: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H