General Information of the Compound
| Compound ID |
CP0967916
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| Compound Name |
(R)-N'1-(2-Pyridin-4-yl-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulen-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C19H23N5S
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| Molecular Weight |
353.495
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| Canonical SMILES |
C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3
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| InChI |
InChI=1S/C19H23N5S/c1-12(20)11-22-18-16-14-5-3-2-4-6-15(14)25-19(16)24-17(23-18)13-7-9-21-10-8-13/h7-10,12H,2-6,11,20H2,1H3,(H,22,23,24)/t12-/m1/s1
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| InChIKey |
LJQSYJGRLXLEDN-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