General Information of the Compound
| Compound ID |
CP0298994
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| Compound Name |
(R)-3-Methoxy-7-propylaminomethyl-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 |
C16H21N3O2S
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| Molecular Weight |
319.43
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| Canonical SMILES |
CCCNC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1
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| InChI |
InChI=1S/C16H21N3O2S/c1-3-6-17-8-10-9-18-14-12-7-11(21-2)4-5-13(12)22-15(14)16(20)19-10/h4-5,7,10,17-18H,3,6,8-9H2,1-2H3,(H,19,20)/t10-/m1/s1
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| InChIKey |
FHYKOYKLHAIARC-SNVBAGLBSA-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