General Information of the Compound
| Compound ID |
CP0535052
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| Compound Name |
10-(2-phenylethylsulfanyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
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| Structure |
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| Formula |
C17H17N3S2
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| Molecular Weight |
327.478
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| Canonical SMILES |
Nc1nc(SCCc2ccccc2)nc2sc3CCCc3c12
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| InChI |
InChI=1S/C17H17N3S2/c18-15-14-12-7-4-8-13(12)22-16(14)20-17(19-15)21-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,18,19,20)
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| InChIKey |
FKDYGVAQWVNMSS-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