General Information of the Compound
| Compound ID |
CP0860884
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| Compound Name |
SID49643948
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| Structure |
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| Formula |
C19H18ClN3O3S
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| Molecular Weight |
403.891
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| Canonical SMILES |
Cc1cc(OCc2nnc(SCCC(=O)O)n2-c2ccccc2)ccc1Cl
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| InChI |
InChI=1S/C19H18ClN3O3S/c1-13-11-15(7-8-16(13)20)26-12-17-21-22-19(27-10-9-18(24)25)23(17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,24,25)
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| InChIKey |
KCDHMGBXSJKPLL-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma