General Information of the Compound
| Compound ID |
CP0962825
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| Compound Name |
5-(4-(4-fluorophenylamino)-6-(phenylamino)-1,3,5-triazin-2-ylamino)pentan-1-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 |
C20H24ClFN6O
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| Molecular Weight |
418.904
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| Canonical SMILES |
Cl.OCCCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1
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| InChI |
InChI=1S/C20H23FN6O.ClH/c21-15-9-11-17(12-10-15)24-20-26-18(22-13-5-2-6-14-28)25-19(27-20)23-16-7-3-1-4-8-16;/h1,3-4,7-12,28H,2,5-6,13-14H2,(H3,22,23,24,25,26,27);1H
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| InChIKey |
VSBAOFRMTIBAHL-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