General Information of the Compound
| Compound ID |
CP0835612
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| Compound Name |
(S)-N4-(3-Ethyl-1H-pyrazol-5-yl)-N2-(1-(5-fluoropyridin-2-yl)-ethyl)-5-methylquinazoline-2,4-diamine
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| Formula |
C21H22FN7
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| Molecular Weight |
391.454
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| Canonical SMILES |
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(C)c23)n[nH]1
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| InChI |
InChI=1S/C21H22FN7/c1-4-15-10-18(29-28-15)26-20-19-12(2)6-5-7-17(19)25-21(27-20)24-13(3)16-9-8-14(22)11-23-16/h5-11,13H,4H2,1-3H3,(H3,24,25,26,27,28,29)/t13-/m0/s1
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| InChIKey |
AZCHQQLGTDJHFL-ZDUSSCGKSA-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