General Information of the Compound
| Compound ID |
CP0539833
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| Compound Name |
5-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
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| Structure |
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| Formula |
C32H33FN6O3
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| Molecular Weight |
568.653
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| Canonical SMILES |
Cc1cc(cn(C)c1=O)-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccc(F)cc3)c2c1)-c1cnn(CC(C)(C)O)c1
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| InChI |
InChI=1S/C32H33FN6O3/c1-20-13-23(16-37(4)31(20)40)22-7-10-27-26(14-22)30(36-29(35-27)24-15-34-38(17-24)19-32(2,3)41)39-11-12-42-18-28(39)21-5-8-25(33)9-6-21/h5-10,13-17,28,41H,11-12,18-19H2,1-4H3/t28-/m1/s1
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| InChIKey |
RGEHEZQEUQCGHU-MUUNZHRXSA-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