General Information of the Compound
| Compound ID |
CP0862026
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| Compound Name |
3-((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)-5-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C27H24FN9O
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| Molecular Weight |
509.549
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| Canonical SMILES |
CCn1cc([C@@]2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
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| InChI |
InChI=1S/C27H24FN9O/c1-3-37-14-16(11-31-37)27(26-32-15(2)38-36-26)24-19(18-6-4-5-7-20(18)33-24)10-22(35-27)25-30-13-23(34-25)21-9-8-17(28)12-29-21/h4-9,11-14,22,33,35H,3,10H2,1-2H3,(H,30,34)/t22-,27-/m1/s1
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| InChIKey |
IODLENIBQMAZBR-AJTFRIOCSA-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