General Information of the Compound
| Compound ID |
CP0552952
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| Compound Name |
1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
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| Formula |
C27H32N6O3
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| Molecular Weight |
488.592
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3C3CC3)c2c1)-c1cnn(CC(C)(C)O)c1
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| InChI |
InChI=1S/C27H32N6O3/c1-16-24(17(2)36-31-16)19-7-8-22-21(11-19)26(33-9-10-35-14-23(33)18-5-6-18)30-25(29-22)20-12-28-32(13-20)15-27(3,4)34/h7-8,11-13,18,23,34H,5-6,9-10,14-15H2,1-4H3/t23-/m1/s1
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| InChIKey |
YLIWDAUREAVAST-HSZRJFAPSA-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