General Information of the Compound
| Compound ID |
CP0157681
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| Compound Name |
N-[5-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-2-methylphenyl]-2-(2-pyrrolidin-1-ylethoxy)quinoline-6-carboxamide
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| Structure |
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| Formula |
C32H32N4O5
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| Molecular Weight |
552.631
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc3OCCOc23)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
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| InChI |
InChI=1S/C32H32N4O5/c1-21-7-10-24(33-32(38)25-5-4-6-28-30(25)41-18-17-39-28)20-27(21)35-31(37)23-8-11-26-22(19-23)9-12-29(34-26)40-16-15-36-13-2-3-14-36/h4-12,19-20H,2-3,13-18H2,1H3,(H,33,38)(H,35,37)
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| InChIKey |
BQURSSYYGUBULA-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