General Information of the Compound
| Compound ID |
CP0049194
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| Compound Name |
(R)-2-((S)-2-amino-3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-4-methylcyclohex-1-enecarboxylic acid
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| Synonyms |
BDBM50342520
GTPL5789
PMID21185185C21
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| Structure |
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| Formula |
C18H20FN5O4
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| Molecular Weight |
389.387
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| Canonical SMILES |
C[C@@H]1CCC(C(O)=O)=C(C1)NC(=O)[C@@H](N)Cc1nc(no1)-c1ccc(F)cn1
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| InChI |
InChI=1S/C18H20FN5O4/c1-9-2-4-11(18(26)27)14(6-9)22-17(25)12(20)7-15-23-16(24-28-15)13-5-3-10(19)8-21-13/h3,5,8-9,12H,2,4,6-7,20H2,1H3,(H,22,25)(H,26,27)/t9-,12+/m1/s1
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| InChIKey |
CDYGJIFOATYSNF-SKDRFNHKSA-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
Clinical Information about the Compound