General Information of the Compound
| Compound ID |
CP0050910
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| Compound Name |
(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylisoxazol-3-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide
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| Structure |
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| Formula |
C20H22N4O5
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| Molecular Weight |
398.419
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| Canonical SMILES |
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1
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| InChI |
InChI=1S/C20H22N4O5/c1-5-12(14-9-10(2)29-23-14)21-15-16(19(27)18(15)26)22-13-8-6-7-11(17(13)25)20(28)24(3)4/h6-9,12,21-22,25H,5H2,1-4H3/t12-/m1/s1
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| InChIKey |
VYOMLNMMWYPDOS-GFCCVEGCSA-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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