General Information of the Compound
| Compound ID |
CP0552200
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| Compound Name |
N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-(4-prop-2-ynoxyphenyl)benzamide
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| Formula |
C32H36N2O2
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| Molecular Weight |
480.652
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccc(OCC#C)cc1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C32H36N2O2/c1-3-20-34(30-23-28-9-5-6-10-29(28)24-30)21-8-7-19-33-32(35)27-13-11-25(12-14-27)26-15-17-31(18-16-26)36-22-4-2/h2,5-6,9-18,30H,3,7-8,19-24H2,1H3,(H,33,35)
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| InChIKey |
JEGAAWNOHVANEU-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