General Information of the Compound
| Compound ID |
CP0132652
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| Compound Name |
2-methyl-2-[(5R)-2-(4-propan-2-yloxyphenyl)-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 |
C27H26N4O3S
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| Molecular Weight |
486.597
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| Canonical SMILES |
CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C27H26N4O3S/c1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)29-21)27(3,4)25(32)30-26-31-28-15-35-26/h5-16,23H,1-4H3,(H,30,31,32)/t23-/m1/s1
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| InChIKey |
RVDUZNHKCJRYQY-HSZRJFAPSA-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