General Information of the Compound
| Compound ID |
CP0323512
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| Compound Name |
2-[(5S)-2-[3-fluoro-4-(piperidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C30H28FN5O3S
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| Molecular Weight |
557.651
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| Canonical SMILES |
CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCCC2)c(F)c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C30H28FN5O3S/c1-30(2,28(38)34-29-35-32-17-40-29)25-20-8-4-5-9-24(20)39-26-21(25)12-13-23(33-26)18-10-11-19(22(31)16-18)27(37)36-14-6-3-7-15-36/h4-5,8-13,16-17,25H,3,6-7,14-15H2,1-2H3,(H,34,35,38)/t25-/m0/s1
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| InChIKey |
KGMKVGBGTIWFCG-VWLOTQADSA-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
Cell-based Assay