General Information of the Compound
| Compound ID |
CP0525966
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| Compound Name |
CHEMBL491427
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| Formula |
C25H21N3O2
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| Molecular Weight |
395.462
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| Canonical SMILES |
O=C1O[C@]2(CC[C@@H](CC2)c2nc3cc(ccc3[nH]2)-c2ccccn2)c2ccccc12
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| InChI |
InChI=1S/C25H21N3O2/c29-24-18-5-1-2-6-19(18)25(30-24)12-10-16(11-13-25)23-27-21-9-8-17(15-22(21)28-23)20-7-3-4-14-26-20/h1-9,14-16H,10-13H2,(H,27,28)/t16-,25-
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| InChIKey |
KGEJIZIFAYPCIU-ODAJSGAPSA-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