General Information of the Compound
| Compound ID |
CP0475327
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| Compound Name |
CHEMBL4094573
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| Formula |
C22H24N2O4
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| Molecular Weight |
380.444
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| Canonical SMILES |
O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccccc2)CC1
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| InChI |
InChI=1S/C22H24N2O4/c25-20(23-17-6-7-18-19(13-17)28-21(26)24-18)14-22(27)10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16,27H,8-12,14H2,(H,23,25)(H,24,26)/t16-,22+
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| InChIKey |
KNBMOQSAHMMLCJ-MIRVZWSXSA-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