General Information of the Compound
| Compound ID |
CP0471550
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| Compound Name |
7-(2-phenylethyl)-3-sulfanylidene-2,4,5,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,10,12-tetraen-8-one
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| Formula |
C16H13N5OS
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| Molecular Weight |
323.381
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| Canonical SMILES |
O=c1n(CCc2ccccc2)c2n[nH]c(=S)n2c2cnccc12
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| InChI |
InChI=1S/C16H13N5OS/c22-14-12-6-8-17-10-13(12)21-15(18-19-16(21)23)20(14)9-7-11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,19,23)
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| InChIKey |
CRBAQEJPOKUWAO-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