General Information of the Compound
| Compound ID |
CP0901761
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| Compound Name |
N2-(5-(diethylamino)pentan-2-yl)-N4-(4-fluorophenyl)-N6-phenyl-1,3,5-triazine-2,4,6-triamine dihydrochloride
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| Structure |
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| Formula |
C24H34Cl2FN7
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| Molecular Weight |
510.489
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| Canonical SMILES |
CCN(CC)CCCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.Cl.Cl
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| InChI |
InChI=1S/C24H32FN7.2ClH/c1-4-32(5-2)17-9-10-18(3)26-22-29-23(27-20-11-7-6-8-12-20)31-24(30-22)28-21-15-13-19(25)14-16-21;;/h6-8,11-16,18H,4-5,9-10,17H2,1-3H3,(H3,26,27,28,29,30,31);2*1H
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| InChIKey |
KASXXWMNMJCXPN-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