General Information of the Compound
| Compound ID |
CP0919047
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| Compound Name |
4-phenyl-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
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| Structure |
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| Formula |
C18H16N2S
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| Molecular Weight |
292.407
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| Canonical SMILES |
S=C1NC2=C(CCc3ccccc32)C(c2ccccc2)N1
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| InChI |
InChI=1S/C18H16N2S/c21-18-19-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)20-18/h1-9,16H,10-11H2,(H2,19,20,21)
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| InChIKey |
FDBVJMGYNUBQKV-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