General Information of the Compound
| Compound ID |
CP0522871
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| Compound Name |
CHEMBL522609
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| Formula |
C22H18N4O3
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| Molecular Weight |
386.411
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| Canonical SMILES |
O=C1O[C@]2(CC[C@@H](CC2)c2nc3cc(ccc3[nH]2)-c2nnco2)c2ccccc12
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| InChI |
InChI=1S/C22H18N4O3/c27-21-15-3-1-2-4-16(15)22(29-21)9-7-13(8-10-22)19-24-17-6-5-14(11-18(17)25-19)20-26-23-12-28-20/h1-6,11-13H,7-10H2,(H,24,25)/t13-,22-
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| InChIKey |
QZIXVISETJLATJ-MRAWUWRDSA-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