General Information of the Compound
| Compound ID |
CP0869160
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| Compound Name |
(R)-3-Phenyl-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 |
C25H27N5S
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| Molecular Weight |
429.593
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| Canonical SMILES |
N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3)Cc1ccccc1
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| InChI |
InChI=1S/C25H27N5S/c26-19(15-17-7-3-1-4-8-17)16-28-24-22-20-9-5-2-6-10-21(20)31-25(22)30-23(29-24)18-11-13-27-14-12-18/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-16,26H2,(H,28,29,30)/t19-/m1/s1
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| InChIKey |
XTCACBUXQCDQLG-LJQANCHMSA-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