General Information of the Compound
| Compound ID |
CP0145729
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| Compound Name |
2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C29H27N5O4S
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| Molecular Weight |
541.633
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| Canonical SMILES |
CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C29H27N5O4S/c1-29(2,27(36)32-28-33-30-17-39-28)24-20-5-3-4-6-23(20)38-25-21(24)11-12-22(31-25)18-7-9-19(10-8-18)26(35)34-13-15-37-16-14-34/h3-12,17,24H,13-16H2,1-2H3,(H,32,33,36)/t24-/m0/s1
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| InChIKey |
MEZPKAWPZYIBGY-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