General Information of the Compound
| Compound ID |
CP0388388
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| Compound Name |
CHEMBL2204041
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| Formula |
C25H28N2O2
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| Molecular Weight |
388.511
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| Canonical SMILES |
CCc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C25H28N2O2/c1-2-17-8-6-7-11-21(17)16-22-23(26-25(29)27-24(22)28)20-14-12-19(13-15-20)18-9-4-3-5-10-18/h3-11,19-20H,2,12-16H2,1H3,(H2,26,27,28,29)/t19-,20+
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| InChIKey |
XGZGZXCJJBENKK-BGYRXZFFSA-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