General Information of the Compound
| Compound ID |
CP0003873
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| Compound Name |
1-((3-((cyclopentylamino)methyl)phenyl)amino)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
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| Structure |
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| Formula |
C24H33N3O
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| Molecular Weight |
379.548
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| Canonical SMILES |
OC(CNc1cccc(CNC2CCCC2)c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C24H33N3O/c28-24(18-27-13-12-20-7-1-2-8-21(20)17-27)16-26-23-11-5-6-19(14-23)15-25-22-9-3-4-10-22/h1-2,5-8,11,14,22,24-26,28H,3-4,9-10,12-13,15-18H2
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| InChIKey |
YNVDQPSSKYZELW-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