General Information of the Compound
| Compound ID |
CP0511734
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| Compound Name |
2-[7-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-yl]oxy-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C31H36N2O5S
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| Molecular Weight |
548.705
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| Canonical SMILES |
C[C@H](CN1C[C@H](C)O[C@H](C)C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C31H36N2O5S/c1-20-17-32(18-21(2)36-20)19-22(3)37-26-7-8-29-24(14-26)13-23-5-4-6-27(31(23)39-29)28-15-25(34)16-30(38-28)33-9-11-35-12-10-33/h4-8,14-16,20-22H,9-13,17-19H2,1-3H3/t20-,21+,22-/m1/s1
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| InChIKey |
FPWSKINOJYCEJK-BHIFYINESA-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