General Information of the Compound
| Compound ID |
CP0539423
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| Compound Name |
[(1S,2R,4R)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-4-phenylmethoxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methylpropanoate
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| Structure |
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| Formula |
C37H46FN3O3
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| Molecular Weight |
599.791
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| Canonical SMILES |
CC(C)[C@H]1c2ccc(F)cc2[C@@H](C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C)OCc1ccccc1
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| InChI |
InChI=1S/C37H46FN3O3/c1-25(2)35-29-18-17-28(38)22-30(29)33(43-24-27-12-7-6-8-13-27)23-37(35,44-36(42)26(3)4)19-21-41(5)20-11-16-34-39-31-14-9-10-15-32(31)40-34/h6-10,12-15,17-18,22,25-26,33,35H,11,16,19-21,23-24H2,1-5H3,(H,39,40)/t33-,35+,37-/m1/s1
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| InChIKey |
HCEKERAQUTWNGZ-QRWXSKHGSA-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