General Information of the Compound
| Compound ID |
CP0423789
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| Compound Name |
N-[(4-fluorophenyl)methyl]-2-[3-(4-phenylphenyl)-2-(5-pyrrolidin-1-ylpentylsulfanyl)-4H-quinazolin-4-yl]acetamide
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| Structure |
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| Formula |
C38H41FN4OS
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| Molecular Weight |
620.838
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| Canonical SMILES |
Fc1ccc(CNC(=O)CC2N(C(SCCCCCN3CCCC3)=Nc3ccccc23)c2ccc(cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C38H41FN4OS/c39-32-19-15-29(16-20-32)28-40-37(44)27-36-34-13-5-6-14-35(34)41-38(45-26-10-2-7-23-42-24-8-9-25-42)43(36)33-21-17-31(18-22-33)30-11-3-1-4-12-30/h1,3-6,11-22,36H,2,7-10,23-28H2,(H,40,44)
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| InChIKey |
OYAAKNMJNYAGBS-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: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I