General Information of the Compound
| Compound ID |
CP0446008
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| Compound Name |
4-[3-(2,6-dichlorophenyl)sulfanyl-5-(morpholine-4-carbonyl)indazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C25H19Cl2N3O4S
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| Molecular Weight |
528.417
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C25H19Cl2N3O4S/c26-19-2-1-3-20(27)22(19)35-23-18-14-16(24(31)29-10-12-34-13-11-29)6-9-21(18)30(28-23)17-7-4-15(5-8-17)25(32)33/h1-9,14H,10-13H2,(H,32,33)
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| InChIKey |
QJPLWOYLDJWJRC-UHFFFAOYSA-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01806, Retinoic acid receptor gamma