General Information of the Compound
| Compound ID |
CP0761864
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| Compound Name |
(2S,3S)-2-(3-((1H-Imidazol-1-yl)methyl)benzamido)-3-methylpentanoic acid trifluoroacetic acid
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| Structure |
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| Formula |
C19H22F3N3O5
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| Molecular Weight |
429.395
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H21N3O3.C2HF3O2/c1-3-12(2)15(17(22)23)19-16(21)14-6-4-5-13(9-14)10-20-8-7-18-11-20;3-2(4,5)1(6)7/h4-9,11-12,15H,3,10H2,1-2H3,(H,19,21)(H,22,23);(H,6,7)/t12-,15-;/m0./s1
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| InChIKey |
BOYIVLXPCGYZJG-NXCSSKFKSA-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