General Information of the Compound
| Compound ID |
CP0901760
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| Compound Name |
(S)-2-(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 |
CC[C@@H](CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.Cl
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| InChI |
InChI=1S/C19H21FN6O.ClH/c1-2-14(12-27)21-17-24-18(22-15-6-4-3-5-7-15)26-19(25-17)23-16-10-8-13(20)9-11-16;/h3-11,14,27H,2,12H2,1H3,(H3,21,22,23,24,25,26);1H/t14-;/m0./s1
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| InChIKey |
LORVTQJYICQNTM-UQKRIMTDSA-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