General Information of the Compound
| Compound ID |
CP0541871
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| Compound Name |
4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid (3-diethylamino-propyl)-amide
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| Structure |
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| Formula |
C31H40N4O4S
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| Molecular Weight |
564.752
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| Canonical SMILES |
CCN(CC)CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
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| InChI |
InChI=1S/C31H40N4O4S/c1-4-34(5-2)20-10-15-30(36)35-21-18-24(19-22-35)33-40(38,39)29-17-16-28(26-13-8-9-14-27(26)29)32-31(37)25-12-7-6-11-23(25)3/h6-9,11-14,16-17,24,33H,4-5,10,15,18-22H2,1-3H3,(H,32,37)
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| InChIKey |
XFRHBBPDPCGXOJ-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