General Information of the Compound
| Compound ID |
CP0116163
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| Compound Name |
2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide
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| Structure |
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| Formula |
C29H29FN4O5
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| Molecular Weight |
532.572
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| Canonical SMILES |
CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C29H29FN4O5/c1-29(2,27(36)33-28(37)31-3)23-19-5-4-6-21(30)24(19)39-25-20(23)11-12-22(32-25)17-7-9-18(10-8-17)26(35)34-13-15-38-16-14-34/h4-12,23H,13-16H2,1-3H3,(H2,31,33,36,37)/t23-/m0/s1
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| InChIKey |
NPOGEJLUGFZKIX-QHCPKHFHSA-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