General Information of the Compound
| Compound ID |
CP0420340
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| Compound Name |
N-[(4-fluorophenyl)methyl]-2-[3-phenyl-2-(5-pyrrolidin-1-ylpentylsulfanyl)-4H-quinazolin-4-yl]acetamide
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| Structure |
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| Formula |
C32H37FN4OS
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| Molecular Weight |
544.74
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| Canonical SMILES |
Fc1ccc(CNC(=O)CC2N(C(SCCCCCN3CCCC3)=Nc3ccccc23)c2ccccc2)cc1
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| InChI |
InChI=1S/C32H37FN4OS/c33-26-17-15-25(16-18-26)24-34-31(38)23-30-28-13-5-6-14-29(28)35-32(37(30)27-11-3-1-4-12-27)39-22-10-2-7-19-36-20-8-9-21-36/h1,3-6,11-18,30H,2,7-10,19-24H2,(H,34,38)
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| InChIKey |
FQBDNTCNEDEMIY-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