General Information of the Compound
| Compound ID |
CP0664424
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| Compound Name |
2-(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)-2-oxo-1,3,4-oxadiazol-3(2H)-yl)acetic acid
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| Structure |
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| Formula |
C28H24FN9O4
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| Molecular Weight |
569.557
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| Canonical SMILES |
CCn1cc([C@@]2(c3nn(CC(=O)O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
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| InChI |
InChI=1S/C28H24FN9O4/c1-2-37-13-15(10-32-37)28(26-36-38(14-23(39)40)27(41)42-26)24-18(17-5-3-4-6-19(17)33-24)9-21(35-28)25-31-12-22(34-25)20-8-7-16(29)11-30-20/h3-8,10-13,21,33,35H,2,9,14H2,1H3,(H,31,34)(H,39,40)/t21-,28-/m1/s1
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| InChIKey |
LKUFQCLASPKCNE-LYZGTLIUSA-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