General Information of the Compound
| Compound ID |
CP0499914
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| Compound Name |
2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethyl N-methylcarbamate
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| Structure |
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| Formula |
C22H22ClF2NO6S
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| Molecular Weight |
501.935
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| Canonical SMILES |
CNC(=O)OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22ClF2NO6S/c1-26-21(27)31-10-8-18-15-12-32-20-17(25)7-6-16(24)19(20)22(15,9-11-30-18)33(28,29)14-4-2-13(23)3-5-14/h2-7,15,18H,8-12H2,1H3,(H,26,27)/t15-,18-,22-/m0/s1
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| InChIKey |
FZLVZULDXHXGFA-VPKVUBIPSA-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
Protein ID: PT06014, Presenilin-1
Protein ID: PT06939, Presenilin-2