General Information of the Compound
Compound ID
CP0547346
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
Formula
C39H40FN7O9
Molecular Weight
769.787
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
Physicochemical Property
logP
3.52662
Rotatable Bonds
16
Heavy Atom Count
56
Polar Areas
218.13
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
11
Complexity
56

"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).

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PubChem ID
CID: 166642470