General Information of the Compound
| Compound ID |
CP0428655
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| Compound Name |
[(1S,8S,9S)-9-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl] 2-methoxyacetate
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| Structure |
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| Formula |
C28H35N3O3
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| Molecular Weight |
461.606
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| Canonical SMILES |
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)C[C@@H]2CC[C@H]1c1ccccc21
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| InChI |
InChI=1S/C28H35N3O3/c1-31(16-7-12-26-29-24-10-5-6-11-25(24)30-26)17-15-28(34-27(32)19-33-2)18-20-13-14-23(28)22-9-4-3-8-21(20)22/h3-6,8-11,20,23H,7,12-19H2,1-2H3,(H,29,30)/t20-,23-,28+/m0/s1
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| InChIKey |
FJMAUPWFRMSLJB-JMFZDZGDSA-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