General Information of the Compound
| Compound ID |
CP0570905
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| Compound Name |
5-[4-[(3S)-3-cyclopropylmorpholin-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 |
C29H34N6O3
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| Molecular Weight |
514.63
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| Canonical SMILES |
Cc1cc(cn(C)c1=O)-c1ccc2nc(nc(N3CCOC[C@@H]3C3CC3)c2c1)-c1cnn(CC(C)(C)O)c1
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| InChI |
InChI=1S/C29H34N6O3/c1-18-11-21(14-33(4)28(18)36)20-7-8-24-23(12-20)27(35-9-10-38-16-25(35)19-5-6-19)32-26(31-24)22-13-30-34(15-22)17-29(2,3)37/h7-8,11-15,19,25,37H,5-6,9-10,16-17H2,1-4H3/t25-/m1/s1
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| InChIKey |
ABZCGQSUBXIYHN-RUZDIDTESA-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