General Information of the Compound
| Compound ID |
CP0493021
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| Compound Name |
2-N-(3-chloro-4-fluorophenyl)-4-N-[(1R)-1-cyclopropylbutyl]quinazoline-2,4-diamine
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| Structure |
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| Formula |
C21H22ClFN4
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| Molecular Weight |
384.886
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| Canonical SMILES |
CCC[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12)C1CC1
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| InChI |
InChI=1S/C21H22ClFN4/c1-2-5-18(13-8-9-13)25-20-15-6-3-4-7-19(15)26-21(27-20)24-14-10-11-17(23)16(22)12-14/h3-4,6-7,10-13,18H,2,5,8-9H2,1H3,(H2,24,25,26,27)/t18-/m1/s1
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| InChIKey |
YQRLBFUUOQUWJF-GOSISDBHSA-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