General Information of the Compound
| Compound ID |
CP0566792
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| Compound Name |
CHEMBL2204050
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccn2)c(=O)[nH]1
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| InChI |
InChI=1S/C22H23N3O2/c26-21-19(14-18-8-4-5-13-23-18)20(24-22(27)25-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-8,13,16-17H,9-12,14H2,(H2,24,25,26,27)/t16-,17+
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| InChIKey |
YNQFDXCTDZXURX-CALCHBBNSA-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