General Information of the Compound
| Compound ID |
CP0425132
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| Compound Name |
[(1S,8S,9S)-9-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-3,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl] 2-methylpropanoate
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| Structure |
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| Formula |
C27H35N5O2
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| Molecular Weight |
461.61
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| Canonical SMILES |
CC(C)C(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)C[C@@H]2CC[C@H]1c1nccnc21
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| InChI |
InChI=1S/C27H35N5O2/c1-18(2)26(33)34-27(17-19-10-11-20(27)25-24(19)28-13-14-29-25)12-16-32(3)15-6-9-23-30-21-7-4-5-8-22(21)31-23/h4-5,7-8,13-14,18-20H,6,9-12,15-17H2,1-3H3,(H,30,31)/t19-,20-,27+/m0/s1
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| InChIKey |
WRRXVWHNKSBLTK-OWOAZTCBSA-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