General Information of the Compound
| Compound ID |
CP0472108
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| Compound Name |
2-[[2-(3-chloro-4-fluoroanilino)-4-[[(1R)-1-cyclopropylethyl]amino]quinazolin-8-yl]amino]ethanol
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| Structure |
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| Formula |
C21H23ClFN5O
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| Molecular Weight |
415.9
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| Canonical SMILES |
C[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2c(NCCO)cccc12)C1CC1
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| InChI |
InChI=1S/C21H23ClFN5O/c1-12(13-5-6-13)25-20-15-3-2-4-18(24-9-10-29)19(15)27-21(28-20)26-14-7-8-17(23)16(22)11-14/h2-4,7-8,11-13,24,29H,5-6,9-10H2,1H3,(H2,25,26,27,28)/t12-/m1/s1
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| InChIKey |
GRVVQFVPRMQJDS-GFCCVEGCSA-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