General Information of the Compound
| Compound ID |
CP0915059
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| Compound Name |
4-phenyl-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
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| Structure |
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| Formula |
C14H14N2OS
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| Molecular Weight |
258.346
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| Canonical SMILES |
O=C1CCCC2=C1C(c1ccccc1)NC(S)=N2
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| InChI |
InChI=1S/C14H14N2OS/c17-11-8-4-7-10-12(11)13(16-14(18)15-10)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H2,15,16,18)
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| InChIKey |
UFLOGXMJFGAFPU-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