General Information of the Compound
| Compound ID |
CP0541902
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| Compound Name |
CHEMBL489587
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| Formula |
C26H22N2O2
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| Molecular Weight |
394.474
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| Canonical SMILES |
O=C1O[C@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)-c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C26H22N2O2/c29-25-20-8-4-5-9-21(20)26(30-25)14-12-18(13-15-26)24-27-22-11-10-19(16-23(22)28-24)17-6-2-1-3-7-17/h1-11,16,18H,12-15H2,(H,27,28)/t18-,26-
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| InChIKey |
RLEIONAVHOEQSQ-AJHAWQTOSA-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