General Information of the Compound
| Compound ID |
CP0412194
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| Compound Name |
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-yl]acetamide
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| Structure |
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| Formula |
C21H20F3N5O
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| Molecular Weight |
415.419
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| Canonical SMILES |
F[C@H]1CCN(C1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1
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| InChI |
InChI=1S/C21H20F3N5O/c22-16-5-7-28(13-16)20-4-2-14(11-25-20)10-21(30)26-19-6-8-29(27-19)12-15-1-3-17(23)18(24)9-15/h1-4,6,8-9,11,16H,5,7,10,12-13H2,(H,26,27,30)/t16-/m0/s1
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| InChIKey |
GYQFUHZEIRPWAL-INIZCTEOSA-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