General Information of the Compound
| Compound ID |
CP0776355
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| Compound Name |
5-((1R,3R)-1-(1-ethyl-1H-pyrazol-4-yl)-3-(4-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1,3,4-oxadiazole-2-thiol
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| Structure |
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| Formula |
C26H22FN9OS
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| Molecular Weight |
527.589
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| Canonical SMILES |
CCn1cc([C@@]2(c3nnc(S)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
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| InChI |
InChI=1S/C26H22FN9OS/c1-2-36-13-14(10-30-36)26(24-34-35-25(38)37-24)22-17(16-5-3-4-6-18(16)31-22)9-20(33-26)23-29-12-21(32-23)19-8-7-15(27)11-28-19/h3-8,10-13,20,31,33H,2,9H2,1H3,(H,29,32)(H,35,38)/t20-,26-/m1/s1
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| InChIKey |
QUULKZXELSVNFZ-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