General Information of the Compound
| Compound ID |
CP0437502
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| Compound Name |
CHEMBL514406
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
O=C(N\N=C1/C(=O)N(CCC2CCCCC2)c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C23H25N3O2/c27-22(18-11-5-2-6-12-18)25-24-21-19-13-7-8-14-20(19)26(23(21)28)16-15-17-9-3-1-4-10-17/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,25,27)/b24-21-
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| InChIKey |
BUNAXLWTUFPOJI-FLFQWRMESA-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