General Information of the Compound
| Compound ID |
CP0459982
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| Compound Name |
[(1S,2S,4R)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-4-butyl-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate
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| Structure |
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| Formula |
C33H46FN3O3
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| Molecular Weight |
551.747
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| Canonical SMILES |
CCCC[C@@H]1C[C@@](CCN(C)CCCc2nc3ccccc3[nH]2)(OC(=O)COC)[C@@H](C(C)C)c2ccc(F)cc12
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| InChI |
InChI=1S/C33H46FN3O3/c1-6-7-11-24-21-33(40-31(38)22-39-5,32(23(2)3)26-16-15-25(34)20-27(24)26)17-19-37(4)18-10-14-30-35-28-12-8-9-13-29(28)36-30/h8-9,12-13,15-16,20,23-24,32H,6-7,10-11,14,17-19,21-22H2,1-5H3,(H,35,36)/t24-,32+,33-/m1/s1
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| InChIKey |
YRBFVPQLCITKOD-JQTYSHOSSA-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