General Information of the Compound
| Compound ID |
CP0093596
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| Compound Name |
US10562854, No. C14
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| Synonyms |
BDBM102338
CHEMBL3649594
SCHEMBL271606
US8536181, C14
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
CC(NCc1ccn(Cc2ccccc2)c(=O)c1O)c1ccccc1
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| InChI |
InChI=1S/C21H22N2O2/c1-16(18-10-6-3-7-11-18)22-14-19-12-13-23(21(25)20(19)24)15-17-8-4-2-5-9-17/h2-13,16,22,24H,14-15H2,1H3
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| InChIKey |
VGDRCKOTQHHWTA-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