General Information of the Compound
| Compound ID |
CP0471738
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| Compound Name |
3-chloro-2,5,5-trimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C22H26ClN5O
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| Molecular Weight |
411.937
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| Canonical SMILES |
Cn1c(Cl)c2CC(C)(C)CCc2c1C(=O)NCc1ccccc1Cn1cncn1
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| InChI |
InChI=1S/C22H26ClN5O/c1-22(2)9-8-17-18(10-22)20(23)27(3)19(17)21(29)25-11-15-6-4-5-7-16(15)12-28-14-24-13-26-28/h4-7,13-14H,8-12H2,1-3H3,(H,25,29)
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| InChIKey |
UOXOWMNNZYBJHK-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