General Information of the Compound
| Compound ID |
CP0418793
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| Compound Name |
1-Oxo-1,2-dihydro-6-thia-10b-aza-aceanthrylene-2-carboxylic acid phenylamide
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| Structure |
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| Formula |
C21H14N2O2S
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| Molecular Weight |
358.422
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| Canonical SMILES |
O=C(Nc1ccccc1)C1C(=O)N2c3c1cccc3Sc1ccccc21
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| InChI |
InChI=1S/C21H14N2O2S/c24-20(22-13-7-2-1-3-8-13)18-14-9-6-12-17-19(14)23(21(18)25)15-10-4-5-11-16(15)26-17/h1-12,18H,(H,22,24)
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| InChIKey |
OPNFZNUANLMKDV-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