General Information of the Compound
| Compound ID |
CP0253472
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| Compound Name |
2-morpholin-4-yl-6-[7-[2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)ethoxy]-9H-thioxanthen-4-yl]pyran-4-one
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| Formula |
C31H34N2O5S
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| Molecular Weight |
546.689
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| Canonical SMILES |
O=c1cc(oc(c1)-c1cccc2Cc3cc(OCCN4CCCC44CCOC4)ccc3Sc12)N1CCOCC1
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| InChI |
InChI=1S/C31H34N2O5S/c34-24-19-27(38-29(20-24)32-10-14-35-15-11-32)26-4-1-3-22-17-23-18-25(5-6-28(23)39-30(22)26)37-16-12-33-9-2-7-31(33)8-13-36-21-31/h1,3-6,18-20H,2,7-17,21H2
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| InChIKey |
GCTSASOEHREIQD-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