General Information of the Compound
| Compound ID |
CP0397786
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| Compound Name |
N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
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| Synonyms |
KYS-05042
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| Structure |
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| Formula |
C34H34FN5O3S
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| Molecular Weight |
611.743
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)Nc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCCCC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C34H34FN5O3S/c35-26-15-19-29(20-16-26)44(42,43)38-27-17-13-25(14-18-27)24-36-33(41)23-32-30-11-5-6-12-31(30)37-34(39-21-7-2-8-22-39)40(32)28-9-3-1-4-10-28/h1,3-6,9-20,32,38H,2,7-8,21-24H2,(H,36,41)
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| InChIKey |
RMQZAKOLGVUVAD-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
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound