General Information of the Compound
| Compound ID |
CP0943837
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| Compound Name |
6-(4,6-bis(phenylamino)-1,3,5-triazin-2-ylamino)-2-methylheptan-2-ol N2-isopropyl-N4,N6-bis(3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
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| Structure |
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| Formula |
C23H31ClN6O
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| Molecular Weight |
442.995
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| Canonical SMILES |
CC(CCCC(C)(C)O)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.Cl
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| InChI |
InChI=1S/C23H30N6O.ClH/c1-17(11-10-16-23(2,3)30)24-20-27-21(25-18-12-6-4-7-13-18)29-22(28-20)26-19-14-8-5-9-15-19;/h4-9,12-15,17,30H,10-11,16H2,1-3H3,(H3,24,25,26,27,28,29);1H
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| InChIKey |
PRMGPWZWBKSCHN-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