General Information of the Compound
| Compound ID |
CP0115415
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| Compound Name |
4-[(5S)-5-(1-acetamido-2-methyl-1-oxopropan-2-yl)-9-fluoro-5H-chromeno[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C27H26FN3O4
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| Molecular Weight |
475.52
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(C)=O
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| InChI |
InChI=1S/C27H26FN3O4/c1-15(32)29-26(34)27(2,3)22-18-7-6-8-20(28)23(18)35-24-19(22)13-14-21(30-24)16-9-11-17(12-10-16)25(33)31(4)5/h6-14,22H,1-5H3,(H,29,32,34)/t22-/m0/s1
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| InChIKey |
VGLQBWHHRNPDPV-QFIPXVFZSA-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