General Information of the Compound
| Compound ID |
CP0136228
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| Compound Name |
(R)-9-Methyl-1,2,8,9,10,11-hexahydro-3-oxa-6-thia-8,11-diaza-cyclohepta[b]-as-indacen-7-one
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| Structure |
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| Formula |
C14H14N2O2S
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| Molecular Weight |
274.345
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| Canonical SMILES |
C[C@@H]1CNc2c(sc3ccc4OCCc4c23)C(=O)N1
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| InChI |
InChI=1S/C14H14N2O2S/c1-7-6-15-12-11-8-4-5-18-9(8)2-3-10(11)19-13(12)14(17)16-7/h2-3,7,15H,4-6H2,1H3,(H,16,17)/t7-/m1/s1
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| InChIKey |
ZLCBGFVBDKXPBZ-SSDOTTSWSA-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