General Information of the Compound
| Compound ID |
CP0895948
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| Compound Name |
4-(2-(4,6-bis(phenylamino)-1,3,5-triazin-2-ylamino)ethyl)pyridine 1-oxide dihydrochloride
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| Structure |
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| Formula |
C22H23Cl2N7O
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| Molecular Weight |
472.38
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| Canonical SMILES |
Cl.Cl.[O-][n+]1ccc(CCNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C22H21N7O.2ClH/c30-29-15-12-17(13-16-29)11-14-23-20-26-21(24-18-7-3-1-4-8-18)28-22(27-20)25-19-9-5-2-6-10-19;;/h1-10,12-13,15-16H,11,14H2,(H3,23,24,25,26,27,28);2*1H
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| InChIKey |
UESGXKQZKDOEGH-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