General Information of the Compound
| Compound ID |
CP0526204
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| Compound Name |
N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C20H18N2O5
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| Molecular Weight |
366.373
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](NC(=O)c2ccc3OCOc3c2)[C@@H]1O)C#N
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| InChI |
InChI=1S/C20H18N2O5/c1-20(2)18(23)17(13-7-11(9-21)3-5-14(13)27-20)22-19(24)12-4-6-15-16(8-12)26-10-25-15/h3-8,17-18,23H,10H2,1-2H3,(H,22,24)/t17-,18+/m1/s1
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| InChIKey |
LCMULRGEZDKTHJ-MSOLQXFVSA-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