General Information of the Compound
| Compound ID |
CP0966781
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| Compound Name |
3-(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 |
Cl.OCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1
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| InChI |
InChI=1S/C18H19FN6O.ClH/c19-13-7-9-15(10-8-13)22-18-24-16(20-11-4-12-26)23-17(25-18)21-14-5-2-1-3-6-14;/h1-3,5-10,26H,4,11-12H2,(H3,20,21,22,23,24,25);1H
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| InChIKey |
DIOAUACOZMNLKV-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