General Information of the Compound
| Compound ID |
CP0552034
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| Compound Name |
N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]-2-pyrrolidin-1-ylacetamide
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| Formula |
C28H29N3O4S
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| Molecular Weight |
503.624
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| Canonical SMILES |
O=C(CN1CCCC1)Nc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C28H29N3O4S/c32-22-16-24(35-27(17-22)31-10-12-34-13-11-31)23-5-3-4-19-14-20-15-21(6-7-25(20)36-28(19)23)29-26(33)18-30-8-1-2-9-30/h3-7,15-17H,1-2,8-14,18H2,(H,29,33)
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| InChIKey |
LGZHIHYGDVRNOP-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