General Information of the Compound
| Compound ID |
CP0902756
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| Compound Name |
(S)-4-(4-(3-cyclopropylmorpholino)-2-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)quinazolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one
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| Structure |
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| Formula |
C30H33N7O3
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| Molecular Weight |
539.64
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| Canonical SMILES |
Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CC4)c3c2)c2cc[nH]c2c1=O
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| InChI |
InChI=1S/C30H33N7O3/c1-30(2,39)17-36-14-20(13-32-36)27-33-24-7-6-19(23-15-35(3)29(38)26-21(23)8-9-31-26)12-22(24)28(34-27)37-10-11-40-16-25(37)18-4-5-18/h6-9,12-15,18,25,31,39H,4-5,10-11,16-17H2,1-3H3/t25-/m1/s1
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| InChIKey |
OGEUONPNSKKQER-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