General Information of the Compound
| Compound ID |
CP0237547
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| Compound Name |
N-(dimethylcarbamoyl)-2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide
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| Structure |
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| Formula |
C30H31FN4O5
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| Molecular Weight |
546.599
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| Canonical SMILES |
CN(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C30H31FN4O5/c1-30(2,28(37)33-29(38)34(3)4)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(32-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,14-17H2,1-4H3,(H,33,37,38)/t24-/m0/s1
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| InChIKey |
RXCJCSJXYPPRFI-DEOSSOPVSA-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