General Information of the Compound
| Compound ID |
CP0288414
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| Compound Name |
2-{[2-({[3-(morpholin-4-yl)propyl]carbamoyl}amino)benzene]sulfonamido}-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C25H32N4O6S
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| Molecular Weight |
516.62
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| Canonical SMILES |
OC(=O)c1c(NS(=O)(=O)c2ccccc2NC(=O)NCCCN2CCOCC2)ccc2CCCCc12
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| InChI |
InChI=1S/C25H32N4O6S/c30-24(31)23-19-7-2-1-6-18(19)10-11-21(23)28-36(33,34)22-9-4-3-8-20(22)27-25(32)26-12-5-13-29-14-16-35-17-15-29/h3-4,8-11,28H,1-2,5-7,12-17H2,(H,30,31)(H2,26,27,32)
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| InChIKey |
IVSHHGXLATWYOM-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