General Information of the Compound
| Compound ID |
CP0489036
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| Compound Name |
2-[7-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]oxy-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C28H28F2N2O4S
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| Molecular Weight |
526.605
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| Canonical SMILES |
FC(F)CN1CC[C@H](C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C28H28F2N2O4S/c29-26(30)17-31-7-6-22(16-31)35-21-4-5-25-19(13-21)12-18-2-1-3-23(28(18)37-25)24-14-20(33)15-27(36-24)32-8-10-34-11-9-32/h1-5,13-15,22,26H,6-12,16-17H2/t22-/m1/s1
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| InChIKey |
VYPJIEHUDAVBLF-JOCHJYFZSA-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