General Information of the Compound
| Compound ID |
CP0302544
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| Compound Name |
8-[(1R)-1-(3,5-difluoro-N-methylanilino)ethyl]-N-(2-hydroxyethyl)-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
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| Structure |
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| Formula |
C26H29F2N3O5
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| Molecular Weight |
501.53
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| Canonical SMILES |
C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
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| InChI |
InChI=1S/C26H29F2N3O5/c1-16(30(3)20-13-18(27)12-19(28)14-20)21-10-17(26(34)29(2)4-7-32)11-22-23(33)15-24(36-25(21)22)31-5-8-35-9-6-31/h10-16,32H,4-9H2,1-3H3/t16-/m1/s1
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| InChIKey |
HULWHZOGNQAZMZ-MRXNPFEDSA-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