General Information of the Compound
| Compound ID |
CP0529614
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| Compound Name |
CHEMBL4104737
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| Formula |
C22H23FN2O4
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| Molecular Weight |
398.434
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| Canonical SMILES |
O[C@@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H23FN2O4/c23-16-3-1-14(2-4-16)11-15-7-9-22(28,10-8-15)13-20(26)24-17-5-6-18-19(12-17)29-21(27)25-18/h1-6,12,15,28H,7-11,13H2,(H,24,26)(H,25,27)/t15-,22-
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| InChIKey |
KQKYIUVHVBZFBO-VVONHTQRSA-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