General Information of the Compound
| Compound ID |
CP0363947
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| Compound Name |
6-[3-(3-Nitro-4-pyrrolidin-1-yl-benzoyl)-ureido]-hexanoic acid hydroxyamide
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| Structure |
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| Formula |
C18H25N5O6
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| Molecular Weight |
407.427
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| Canonical SMILES |
ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H25N5O6/c24-16(21-27)6-2-1-3-9-19-18(26)20-17(25)13-7-8-14(15(12-13)23(28)29)22-10-4-5-11-22/h7-8,12,27H,1-6,9-11H2,(H,21,24)(H2,19,20,25,26)
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| InChIKey |
DEBSYXDRVTXVMW-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