General Information of the Compound
| Compound ID |
CP0851110
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| Compound Name |
(3-((1R,3R)-3-(4-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl)-1-(1-methyl-1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1,2,4-oxadiazol-5-yl)methanamine
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| Structure |
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| Formula |
C26H23FN10O
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| Molecular Weight |
510.537
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| Canonical SMILES |
Cn1cc([C@@]2(c3noc(CN)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
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| InChI |
InChI=1S/C26H23FN10O/c1-37-13-14(10-31-37)26(25-34-22(9-28)38-36-25)23-17(16-4-2-3-5-18(16)32-23)8-20(35-26)24-30-12-21(33-24)19-7-6-15(27)11-29-19/h2-7,10-13,20,32,35H,8-9,28H2,1H3,(H,30,33)/t20-,26-/m1/s1
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| InChIKey |
LYJJAIFGVKPDRA-FQRUVTKNSA-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