General Information of the Compound
| Compound ID |
CP0707930
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| Compound Name |
5-((1R,3R)-3-(4-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl)-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-3-methyl-1,3,4-oxadiazol-2(3H)-one
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| Structure |
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| Formula |
C25H20FN9O2
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| Molecular Weight |
497.494
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| Canonical SMILES |
Cn1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O
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| InChI |
InChI=1S/C25H20FN9O2/c1-35-24(36)37-23(34-35)25(13-9-29-30-10-13)21-16(15-4-2-3-5-17(15)31-21)8-19(33-25)22-28-12-20(32-22)18-7-6-14(26)11-27-18/h2-7,9-12,19,31,33H,8H2,1H3,(H,28,32)(H,29,30)/t19-,25-/m1/s1
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| InChIKey |
ZEDXJQGDBRTMRE-KBMIEXCESA-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