General Information of the Compound
| Compound ID |
CP0547346
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| Compound Name |
4-[[5-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octanoylamino]-2-methylbenzimidazol-1-yl]methyl]-3-fluoro-N-hydroxybenzamide
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| Structure |
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| Formula |
C39H40FN7O9
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| Molecular Weight |
769.787
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| Canonical SMILES |
Cc1nc2cc(NC(=O)CCCCCCCNC(=O)COc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)ccc2n1Cc1ccc(cc1F)C(=O)NO
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| InChI |
InChI=1S/C39H40FN7O9/c1-22-42-28-19-25(13-14-29(28)46(22)20-24-12-11-23(18-27(24)40)36(51)45-55)43-32(48)10-5-3-2-4-6-17-41-34(50)21-56-31-9-7-8-26-35(31)39(54)47(38(26)53)30-15-16-33(49)44-37(30)52/h7-9,11-14,18-19,30,55H,2-6,10,15-17,20-21H2,1H3,(H,41,50)(H,43,48)(H,45,51)(H,44,49,52)
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| InChIKey |
HFDHVDIXYSXIRN-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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