General Information of the Compound
| Compound ID |
CP0524628
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| Compound Name |
4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid (3-morpholin-4-yl-propyl)-amide
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| Structure |
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| Formula |
C31H38N4O5S
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| Molecular Weight |
578.735
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CCCN1CCOCC1
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| InChI |
InChI=1S/C31H38N4O5S/c1-23-7-2-3-8-25(23)31(37)32-28-12-13-29(27-10-5-4-9-26(27)28)41(38,39)33-24-14-17-35(18-15-24)30(36)11-6-16-34-19-21-40-22-20-34/h2-5,7-10,12-13,24,33H,6,11,14-22H2,1H3,(H,32,37)
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| InChIKey |
PEXVJRSYTQCVFU-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