General Information of the Compound
| Compound ID |
CP0952443
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| Compound Name |
4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
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| Structure |
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| Formula |
C14H16N2S
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| Molecular Weight |
244.363
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| Canonical SMILES |
S=C1NC2=C(CCCC2)C(c2ccccc2)N1
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| InChI |
InChI=1S/C14H16N2S/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2,(H2,15,16,17)
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| InChIKey |
LQBGWDJYLPXCMK-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