General Information of the Compound
| Compound ID |
CP0075340
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| Compound Name |
(R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-dioxoisoindolin-2-yl)-N-hydroxybutanamide
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| Structure |
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| Formula |
C22H21N3O7S
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| Molecular Weight |
471.491
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| Canonical SMILES |
CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO
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| InChI |
InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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| InChIKey |
MWMRJYLEVAWDDL-LJQANCHMSA-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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