General Information of the Compound
| Compound ID |
CP0430927
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| Compound Name |
5-(2-phenylethylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
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| Structure |
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| Formula |
C17H17N3OS2
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| Molecular Weight |
343.477
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| Canonical SMILES |
Nc1nc(SCCc2ccccc2)nc2sc3COCCc3c12
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| InChI |
InChI=1S/C17H17N3OS2/c18-15-14-12-6-8-21-10-13(12)23-16(14)20-17(19-15)22-9-7-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,18,19,20)
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| InChIKey |
MXKAUTUNIOOCNN-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