General Information of the Compound
| Compound ID |
CP0500403
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| Compound Name |
CHEMBL2338262
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| Formula |
C22H26N4O2
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| Molecular Weight |
378.476
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| Canonical SMILES |
O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2-c2ccccn2)C1=O
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| InChI |
InChI=1S/C22H26N4O2/c27-21-17-13-24-26(19-5-1-2-6-23-19)18(17)4-3-7-25(21)20-15-8-14-9-16(20)12-22(28,10-14)11-15/h1-2,5-6,13-16,20,28H,3-4,7-12H2/t14?,15?,16?,20-,22+
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| InChIKey |
QDAUCYFWRJSXFP-CUWMKQIBSA-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