General Information of the Compound
| Compound ID |
CP0903658
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| Compound Name |
(S)-2-(4-(4-fluorophenylamino)-6-(phenylamino)-1,3,5-triazin-2-ylamino)propan-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 |
C18H20ClFN6O
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| Molecular Weight |
390.85
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| Canonical SMILES |
C[C@@H](CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.Cl
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| InChI |
InChI=1S/C18H19FN6O.ClH/c1-12(11-26)20-16-23-17(21-14-5-3-2-4-6-14)25-18(24-16)22-15-9-7-13(19)8-10-15;/h2-10,12,26H,11H2,1H3,(H3,20,21,22,23,24,25);1H/t12-;/m0./s1
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| InChIKey |
ZNBCOMKIZUBAID-YDALLXLXSA-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