General Information of the Compound
| Compound ID |
CP0548245
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| Compound Name |
2-[[(2S)-1-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-yl]-methylamino]acetic acid
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| Structure |
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| Formula |
C20H20Cl2N2O3
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| Molecular Weight |
407.297
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| Canonical SMILES |
CN(CC(O)=O)[C@H](CC#N)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C20H20Cl2N2O3/c1-24(12-20(25)26)16(8-9-23)10-14-2-5-17(6-3-14)27-13-15-4-7-18(21)19(22)11-15/h2-7,11,16H,8,10,12-13H2,1H3,(H,25,26)/t16-/m1/s1
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| InChIKey |
UJGMOTOYDFIXLW-MRXNPFEDSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound