General Information of the Compound
| Compound ID |
CP0468085
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| Compound Name |
2-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-3H-isoindol-1-one
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc(Cc2cc3C(=O)N(Cc3cc2C)[C@H]2CCOC[C@@H]2O)cc1
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| InChI |
InChI=1S/C25H27N3O3/c1-16-9-20-13-28(23-7-8-31-14-24(23)29)25(30)22(20)11-19(16)10-18-3-5-21(6-4-18)27-12-17(2)26-15-27/h3-6,9,11-12,15,23-24,29H,7-8,10,13-14H2,1-2H3/t23-,24-/m0/s1
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| InChIKey |
DWQREQZODHUPAO-ZEQRLZLVSA-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