General Information of the Compound
| Compound ID |
CP0324871
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| Compound Name |
6-{3-[4-(2-Diethylamino-ethylamino)-3-nitro-benzoyl]-ureido}-hexanoic acid hydroxyamide
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| Structure |
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| Formula |
C20H32N6O6
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| Molecular Weight |
452.512
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| Canonical SMILES |
CCN(CC)CCNc1ccc(cc1[N+]([O-])=O)C(=O)NC(=O)NCCCCCC(=O)NO
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| InChI |
InChI=1S/C20H32N6O6/c1-3-25(4-2)13-12-21-16-10-9-15(14-17(16)26(31)32)19(28)23-20(29)22-11-7-5-6-8-18(27)24-30/h9-10,14,21,30H,3-8,11-13H2,1-2H3,(H,24,27)(H2,22,23,28,29)
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| InChIKey |
BHGNECNZUHZLIY-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