General Information of the Compound
| Compound ID |
CP0213567
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| Compound Name |
4-[2-(ethylamino)ethyl]-1,5-diphenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C29H29F3N4O2
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| Molecular Weight |
522.571
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| Canonical SMILES |
CCNCCc1c(nn(c1-c1ccccc1)-c1ccccc1)C(=O)NCc1ccccc1OCC(F)(F)F
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| InChI |
InChI=1S/C29H29F3N4O2/c1-2-33-18-17-24-26(28(37)34-19-22-13-9-10-16-25(22)38-20-29(30,31)32)35-36(23-14-7-4-8-15-23)27(24)21-11-5-3-6-12-21/h3-16,33H,2,17-20H2,1H3,(H,34,37)
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| InChIKey |
PYXDWIWBQXUGPX-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