General Information of the Compound
| Compound ID |
CP0548212
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| Compound Name |
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
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| Formula |
C30H31FN6O3
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| Molecular Weight |
542.615
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccc(F)cc3)c2c1)-c1cnn(CC(C)(C)O)c1
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| InChI |
InChI=1S/C30H31FN6O3/c1-18-27(19(2)40-35-18)21-7-10-25-24(13-21)29(34-28(33-25)22-14-32-36(15-22)17-30(3,4)38)37-11-12-39-16-26(37)20-5-8-23(31)9-6-20/h5-10,13-15,26,38H,11-12,16-17H2,1-4H3/t26-/m1/s1
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| InChIKey |
CWSSFUVXMUVANQ-AREMUKBSSA-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