General Information of the Compound
| Compound ID |
CP0390360
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| Compound Name |
2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-thiophen-2-ylsulfonylacetamide
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| Structure |
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| Formula |
C25H26N4O3S2
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| Molecular Weight |
494.642
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| Canonical SMILES |
O=C(CC1N(C(=Nc2ccccc12)N1CCCCC1)c1ccccc1)NS(=O)(=O)c1cccs1
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| InChI |
InChI=1S/C25H26N4O3S2/c30-23(27-34(31,32)24-14-9-17-33-24)18-22-20-12-5-6-13-21(20)26-25(28-15-7-2-8-16-28)29(22)19-10-3-1-4-11-19/h1,3-6,9-14,17,22H,2,7-8,15-16,18H2,(H,27,30)
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| InChIKey |
VQZQDXOWAXSZKI-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