General Information of the Compound
| Compound ID |
CP0105112
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| Compound Name |
10-Methoxy-2,2,4-trimethyl-5-(3-methylsulfanylmethoxy-phenyl)-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C28H29NO3S
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| Molecular Weight |
459.611
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| Canonical SMILES |
COc1cccc2OC(c3cccc(OCSC)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C28H29NO3S/c1-17-15-28(2,3)29-21-13-12-20-25-22(30-4)10-7-11-23(25)32-27(26(20)24(17)21)18-8-6-9-19(14-18)31-16-33-5/h6-15,27,29H,16H2,1-5H3
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| InChIKey |
PZGBWVRLVNGXMZ-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: PT00967, Glucocorticoid receptor