General Information of the Compound
| Compound ID |
CP0420338
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| Compound Name |
N-benzyl-2-[2-[5-(dimethylamino)pentylsulfanyl]-3-[4-(4-fluorophenyl)phenyl]-4H-quinazolin-4-yl]acetamide
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| Structure |
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| Formula |
C36H39FN4OS
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| Molecular Weight |
594.8
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| Canonical SMILES |
CN(C)CCCCCSC1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C36H39FN4OS/c1-40(2)23-9-4-10-24-43-36-39-33-14-8-7-13-32(33)34(25-35(42)38-26-27-11-5-3-6-12-27)41(36)31-21-17-29(18-22-31)28-15-19-30(37)20-16-28/h3,5-8,11-22,34H,4,9-10,23-26H2,1-2H3,(H,38,42)
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| InChIKey |
BEBQCGDGOGLAMW-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 17600 nM
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TI
LI
LO
TS
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