General Information of the Compound
| Compound ID |
CP0915058
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| Compound Name |
4-phenyl-3,4,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2(5H)-thione
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| Structure |
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| Formula |
C13H14N2S
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| Molecular Weight |
230.336
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| Canonical SMILES |
S=C1NC2=C(CCC2)C(c2ccccc2)N1
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| InChI |
InChI=1S/C13H14N2S/c16-13-14-11-8-4-7-10(11)12(15-13)9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2,(H2,14,15,16)
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| InChIKey |
ZXIJWZFGSVHPCH-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