General Information of the Compound
| Compound ID |
CP0534724
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| Compound Name |
2-morpholin-4-yl-6-[7-[(2S)-1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-yl]oxy-9H-thioxanthen-4-yl]pyran-4-one
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| Formula |
C30H32N2O5S
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| Molecular Weight |
532.662
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| Canonical SMILES |
C[C@@H](CN1C[C@H]2C[C@@H]1CO2)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C30H32N2O5S/c1-19(16-32-17-25-13-22(32)18-35-25)36-24-5-6-28-21(12-24)11-20-3-2-4-26(30(20)38-28)27-14-23(33)15-29(37-27)31-7-9-34-10-8-31/h2-6,12,14-15,19,22,25H,7-11,13,16-18H2,1H3/t19-,22+,25+/m0/s1
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| InChIKey |
PADGPGDQZXNXPT-UWUFEASWSA-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