General Information of the Compound
| Compound ID |
CP0298993
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| Compound Name |
(R)-3-Methoxy-7-propyl-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one
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| Structure |
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| Formula |
C15H18N2O2S
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| Molecular Weight |
290.388
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| Canonical SMILES |
CCC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1
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| InChI |
InChI=1S/C15H18N2O2S/c1-3-4-9-8-16-13-11-7-10(19-2)5-6-12(11)20-14(13)15(18)17-9/h5-7,9,16H,3-4,8H2,1-2H3,(H,17,18)/t9-/m1/s1
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| InChIKey |
XXIHHKWKHPBCOE-SECBINFHSA-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