General Information of the Compound
| Compound ID |
CP0950216
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| Compound Name |
4-(4-(4-fluorophenylamino)-6-(phenylamino)-1,3,5-triazin-2-ylamino)butan-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 |
C19H22ClFN6O
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| Molecular Weight |
404.877
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| Canonical SMILES |
Cl.OCCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1
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| InChI |
InChI=1S/C19H21FN6O.ClH/c20-14-8-10-16(11-9-14)23-19-25-17(21-12-4-5-13-27)24-18(26-19)22-15-6-2-1-3-7-15;/h1-3,6-11,27H,4-5,12-13H2,(H3,21,22,23,24,25,26);1H
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| InChIKey |
HCULSMAEDXANPF-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