General Information of the Compound
| Compound ID |
CP0919526
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| Compound Name |
N2,N4-bis(4-fluorophenyl)-N6-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
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| Structure |
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| Formula |
C20H17ClF2N6S
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| Molecular Weight |
446.914
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| Canonical SMILES |
Cl.Fc1ccc(Nc2nc(NCc3cccs3)nc(Nc3ccc(F)cc3)n2)cc1
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| InChI |
InChI=1S/C20H16F2N6S.ClH/c21-13-3-7-15(8-4-13)24-19-26-18(23-12-17-2-1-11-29-17)27-20(28-19)25-16-9-5-14(22)6-10-16;/h1-11H,12H2,(H3,23,24,25,26,27,28);1H
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| InChIKey |
MFWGEDBCUJIKQP-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