General Information of the Compound
| Compound ID |
CP0127755
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| Compound Name |
(R)-10-Methyl-3-phenyl-9,10,11,12-tetrahydro-7-thia-4,9,12-triaza-naphtho[1,2-a]azulen-8-one
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| Structure |
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| Formula |
C21H17N3OS
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| Molecular Weight |
359.454
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| Canonical SMILES |
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2)C(=O)N1
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| InChI |
InChI=1S/C21H17N3OS/c1-12-11-22-19-18-14-7-8-15(13-5-3-2-4-6-13)24-16(14)9-10-17(18)26-20(19)21(25)23-12/h2-10,12,22H,11H2,1H3,(H,23,25)/t12-/m1/s1
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| InChIKey |
LVKGEKFNCBTKTM-GFCCVEGCSA-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