General Information of the Compound
| Compound ID |
CP0107591
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| Compound Name |
US9353089, 330
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| Synonyms |
BDBM234557
BDBM50379880
CHEMBL2012001
SCHEMBL7539510
US9353089, 330
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| Structure |
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| Formula |
C20H21N3O2
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| Molecular Weight |
335.407
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| Canonical SMILES |
COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)C1CC1
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| InChI |
InChI=1S/C20H21N3O2/c1-23-18(24)20(15-9-10-15,22-19(23)21)16-7-3-5-13(11-16)14-6-4-8-17(12-14)25-2/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22)
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| InChIKey |
NCNMSGOJBLVCOM-UHFFFAOYSA-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
Clinical Information about the Compound