General Information of the Compound
| Compound ID |
CP0947485
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| Compound Name |
N'1-(2-Pyridin-4-yl-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulen-4-yl)-ethane-1,2-diamine
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| Structure |
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| Formula |
C18H21N5S
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| Molecular Weight |
339.468
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| Canonical SMILES |
NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3
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| InChI |
InChI=1S/C18H21N5S/c19-8-11-21-17-15-13-4-2-1-3-5-14(13)24-18(15)23-16(22-17)12-6-9-20-10-7-12/h6-7,9-10H,1-5,8,11,19H2,(H,21,22,23)
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| InChIKey |
CBBVFYZOXMLNAC-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