General Information of the Compound
| Compound ID |
CP0138894
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| Compound Name |
6-((1S,7R,10S,13R)-2,8,11,26-Tetraoxo-3,9,12,25-tetraaza-tricyclo[11.11.2.0*3,7*]hexacos-10-yl)-hexanoic acid hydroxyamide
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| Structure |
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| Formula |
C28H47N5O6
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| Molecular Weight |
549.713
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| Canonical SMILES |
ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCCC[C@@H](NC1=O)C(=O)N2
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| InChI |
InChI=1S/C28H47N5O6/c34-24(32-39)18-12-8-11-15-21-25(35)29-20-14-9-6-4-2-1-3-5-7-10-16-22(31-26(20)36)28(38)33-19-13-17-23(33)27(37)30-21/h20-23,39H,1-19H2,(H,29,35)(H,30,37)(H,31,36)(H,32,34)/t20-,21+,22+,23-/m1/s1
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| InChIKey |
TVNZWPOEHUTSFV-WZYRSQIMSA-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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