General Information of the Compound
| Compound ID |
CP0386865
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| Compound Name |
2-[2-[5-(dimethylamino)pentylsulfanyl]-3-[4-(4-fluorophenyl)phenyl]-4H-quinazolin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
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| Structure |
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| Formula |
C36H38F2N4OS
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| Molecular Weight |
612.79
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| Canonical SMILES |
CN(C)CCCCCSC1=Nc2ccccc2C(CC(=O)NCc2ccc(F)cc2)N1c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C36H38F2N4OS/c1-41(2)22-6-3-7-23-44-36-40-33-9-5-4-8-32(33)34(24-35(43)39-25-26-10-16-29(37)17-11-26)42(36)31-20-14-28(15-21-31)27-12-18-30(38)19-13-27/h4-5,8-21,34H,3,6-7,22-25H2,1-2H3,(H,39,43)
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| InChIKey |
MGJWWKFNLMFMAB-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 | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 9300 nM
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TI
LI
LO
TS
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