General Information of the Compound
| Compound ID |
CP0177292
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| Compound Name |
8-[(1R)-1-(3,5-difluoro-N-methylanilino)ethyl]-6-(4-hydroxypiperidine-1-carbonyl)-2-morpholin-4-ylchromen-4-one
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| Structure |
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| Formula |
C28H31F2N3O5
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| Molecular Weight |
527.568
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| Canonical SMILES |
C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC(O)CC1
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| InChI |
InChI=1S/C28H31F2N3O5/c1-17(31(2)21-14-19(29)13-20(30)15-21)23-11-18(28(36)33-5-3-22(34)4-6-33)12-24-25(35)16-26(38-27(23)24)32-7-9-37-10-8-32/h11-17,22,34H,3-10H2,1-2H3/t17-/m1/s1
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| InChIKey |
UOZWDNWNBWHNIU-QGZVFWFLSA-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform