General Information of the Compound
| Compound ID |
CP0038701
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| Compound Name |
6-[3-(3-Nitro-4-piperidin-1-yl-benzoyl)-ureido]-hexanoic acid hydroxyamide
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| Structure |
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| Formula |
C19H27N5O6
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| Molecular Weight |
421.454
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| Canonical SMILES |
ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H27N5O6/c25-17(22-28)7-3-1-4-10-20-19(27)21-18(26)14-8-9-15(16(13-14)24(29)30)23-11-5-2-6-12-23/h8-9,13,28H,1-7,10-12H2,(H,22,25)(H2,20,21,26,27)
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| InChIKey |
GJKXLCSJSPBRCL-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