General Information of the Compound
| Compound ID |
CP0404138
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| Compound Name |
[(1S,2R,4R)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-4-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methylpropanoate
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| Structure |
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| Formula |
C30H40FN3O3
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| Molecular Weight |
509.666
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| Canonical SMILES |
CC(C)[C@H]1c2ccc(F)cc2[C@H](O)C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C
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| InChI |
InChI=1S/C30H40FN3O3/c1-19(2)28-22-13-12-21(31)17-23(22)26(35)18-30(28,37-29(36)20(3)4)14-16-34(5)15-8-11-27-32-24-9-6-7-10-25(24)33-27/h6-7,9-10,12-13,17,19-20,26,28,35H,8,11,14-16,18H2,1-5H3,(H,32,33)/t26-,28+,30-/m1/s1
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| InChIKey |
ITXUJDTVHQVSLI-JNQIMCCTSA-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