General Information of the Compound
| Compound ID |
CP0471733
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| Compound Name |
3-cyano-2,5,5-trimethyl-N-[[3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]-6,7-dihydro-4H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C21H23F3N4O2
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| Molecular Weight |
420.435
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| Canonical SMILES |
Cn1c(C#N)c2CC(C)(C)CCc2c1C(=O)NCc1ncccc1OCC(F)(F)F
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| InChI |
InChI=1S/C21H23F3N4O2/c1-20(2)7-6-13-14(9-20)16(10-25)28(3)18(13)19(29)27-11-15-17(5-4-8-26-15)30-12-21(22,23)24/h4-5,8H,6-7,9,11-12H2,1-3H3,(H,27,29)
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| InChIKey |
ODBFLLSFZNXGTN-UHFFFAOYSA-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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I