General Information of the Compound
| Compound ID |
CP0489650
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| Compound Name |
CHEMBL2204061
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| Formula |
C25H28N2O2
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| Molecular Weight |
388.511
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| Canonical SMILES |
Cc1cccc(Cc2c([nH]c(=O)n(C)c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C25H28N2O2/c1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29)/t20-,21+
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| InChIKey |
KKAWLDJLZJOYAH-OYRHEFFESA-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