General Information of the Compound
| Compound ID |
CP0470835
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| Compound Name |
3-chloro-2,5,5-trimethyl-N-[[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-6,7-dihydro-4H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C21H26ClN5O2
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| Molecular Weight |
415.925
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| Canonical SMILES |
Cc1onc(CNC(=O)c2c3CCC(C)(C)Cc3c(Cl)n2C)c1Cn1cccn1
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| InChI |
InChI=1S/C21H26ClN5O2/c1-13-16(12-27-9-5-8-24-27)17(25-29-13)11-23-20(28)18-14-6-7-21(2,3)10-15(14)19(22)26(18)4/h5,8-9H,6-7,10-12H2,1-4H3,(H,23,28)
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| InChIKey |
GSMBBFLAEIUAQY-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