General Information of the Compound
| Compound ID |
CP0425128
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| Compound Name |
3-(1H-benzimidazol-2-yl)-N-[2-[(1S,8S,9S)-9-methoxy-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]ethyl]-N-methylpropan-1-amine
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| Structure |
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| Formula |
C26H33N3O
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| Molecular Weight |
403.57
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| Canonical SMILES |
CO[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)C[C@@H]2CC[C@H]1c1ccccc21
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| InChI |
InChI=1S/C26H33N3O/c1-29(16-7-12-25-27-23-10-5-6-11-24(23)28-25)17-15-26(30-2)18-19-13-14-22(26)21-9-4-3-8-20(19)21/h3-6,8-11,19,22H,7,12-18H2,1-2H3,(H,27,28)/t19-,22-,26+/m0/s1
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| InChIKey |
WJZQMTNKCMFTFN-NDIWIEOSSA-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