General Information of the Compound
| Compound ID |
CP0226864
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| Compound Name |
2-morpholin-4-yl-6-[7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]-9H-thioxanthen-4-yl]pyran-4-one
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| Formula |
C29H30N2O5S
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| Molecular Weight |
518.635
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| Canonical SMILES |
O=c1cc(oc(c1)-c1cccc2Cc3cc(OCCN4C[C@H]5C[C@@H]4CO5)ccc3Sc12)N1CCOCC1
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| InChI |
InChI=1S/C29H30N2O5S/c32-22-15-26(36-28(16-22)30-6-9-33-10-7-30)25-3-1-2-19-12-20-13-23(4-5-27(20)37-29(19)25)34-11-8-31-17-24-14-21(31)18-35-24/h1-5,13,15-16,21,24H,6-12,14,17-18H2/t21-,24-/m1/s1
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| InChIKey |
FMAIGHDZPIKVKX-ZJSXRUAMSA-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