General Information of the Compound
| Compound ID |
CP0173606
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| Compound Name |
2-{[2-({[3-(piperidin-1-yl)propyl]carbamoyl}amino)benzene]sulfonamido}-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C26H34N4O5S
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| Molecular Weight |
514.648
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| Canonical SMILES |
OC(=O)c1c(NS(=O)(=O)c2ccccc2NC(=O)NCCCN2CCCCC2)ccc2CCCCc12
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| InChI |
InChI=1S/C26H34N4O5S/c31-25(32)24-20-10-3-2-9-19(20)13-14-22(24)29-36(34,35)23-12-5-4-11-21(23)28-26(33)27-15-8-18-30-16-6-1-7-17-30/h4-5,11-14,29H,1-3,6-10,15-18H2,(H,31,32)(H2,27,28,33)
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| InChIKey |
SKNTVGOLYAJKMR-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