General Information of the Compound
| Compound ID |
CP0535167
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| Compound Name |
(S)-2-Amino-5-(2-nitro-4-trifluoromethyl-phenylamino)-pentanoic acid
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| Structure |
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| Formula |
C12H14F3N3O4
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| Molecular Weight |
321.255
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| Canonical SMILES |
N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C12H14F3N3O4/c13-12(14,15)7-3-4-9(10(6-7)18(21)22)17-5-1-2-8(16)11(19)20/h3-4,6,8,17H,1-2,5,16H2,(H,19,20)/t8-/m0/s1
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| InChIKey |
IVHTYHTUBNZYRI-QMMMGPOBSA-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