General Information of the Compound
| Compound ID |
CP0273407
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| Compound Name |
4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-7-ol
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| Structure |
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| Formula |
C22H23F3N4O3
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| Molecular Weight |
448.445
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc(O)c(O[C@H]3CCOC3)cc12)c1cc(N)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N4O3/c1-11(13-5-14(22(23,24)25)7-15(26)6-13)27-21-17-8-20(32-16-3-4-31-10-16)19(30)9-18(17)28-12(2)29-21/h5-9,11,16,30H,3-4,10,26H2,1-2H3,(H,27,28,29)/t11-,16+/m1/s1
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| InChIKey |
GLEBCUSYSCBWKF-BZNIZROVSA-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