General Information of the Compound
| Compound ID |
CP0435932
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| Compound Name |
3-(dimethylamino)propyl 4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfonyl)amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C29H36N4O5S
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| Molecular Weight |
552.697
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| Canonical SMILES |
CN(C)CCCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
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| InChI |
InChI=1S/C29H36N4O5S/c1-21-9-4-5-10-23(21)28(34)30-26-13-14-27(25-12-7-6-11-24(25)26)39(36,37)31-22-15-18-33(19-16-22)29(35)38-20-8-17-32(2)3/h4-7,9-14,22,31H,8,15-20H2,1-3H3,(H,30,34)
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| InChIKey |
NNTFZCYXELBMNG-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