General Information of the Compound
| Compound ID |
CP0053816
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| Compound Name |
N-carbamoyl-2-[(5S)-9-fluoro-2-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide
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| Structure |
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| Formula |
C25H25FN4O4
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| Molecular Weight |
464.497
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| Canonical SMILES |
CC(C)(O)c1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
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| InChI |
InChI=1S/C25H25FN4O4/c1-24(2,22(31)30-23(27)32)19-14-6-5-7-16(26)20(14)34-21-15(19)9-10-17(29-21)13-8-11-18(28-12-13)25(3,4)33/h5-12,19,33H,1-4H3,(H3,27,30,31,32)/t19-/m0/s1
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| InChIKey |
VKVZOFDGLCTSKW-IBGZPJMESA-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: PT00967, Glucocorticoid receptor