General Information of the Compound
| Compound ID |
CP0954555
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| Compound Name |
N2-isopropyl-N4,N6-bis(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
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| Structure |
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| Formula |
C18H19ClN8O4
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| Molecular Weight |
446.855
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| Canonical SMILES |
CC(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1.Cl
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| InChI |
InChI=1S/C18H18N8O4.ClH/c1-11(2)19-16-22-17(20-12-3-7-14(8-4-12)25(27)28)24-18(23-16)21-13-5-9-15(10-6-13)26(29)30;/h3-11H,1-2H3,(H3,19,20,21,22,23,24);1H
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| InChIKey |
ZULJKFNDNWLWFI-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