General Information of the Compound
| Compound ID |
CP0553937
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| Compound Name |
[(1R,8R,9R)-9-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl] 2-methylpropanoate
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| Structure |
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| Formula |
C29H37N3O2
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| Molecular Weight |
459.634
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| Canonical SMILES |
CC(C)C(=O)O[C@@]1(CCN(C)CCCc2nc3ccccc3[nH]2)C[C@H]2CC[C@@H]1c1ccccc21
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| InChI |
InChI=1S/C29H37N3O2/c1-20(2)28(33)34-29(19-21-14-15-24(29)23-10-5-4-9-22(21)23)16-18-32(3)17-8-13-27-30-25-11-6-7-12-26(25)31-27/h4-7,9-12,20-21,24H,8,13-19H2,1-3H3,(H,30,31)/t21-,24-,29+/m1/s1
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| InChIKey |
MLDXNVWBLNAZSD-OGQCEUPSSA-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