General Information of the Compound
| Compound ID |
CP0776356
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| Compound Name |
3-(2-(dimethylamino)ethyl)-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-oxadiazol-2(3H)-one
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| Structure |
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| Formula |
C30H31FN10O2
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| Molecular Weight |
582.644
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| Canonical SMILES |
CCn1cc([C@@]2(c3nn(CCN(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
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| InChI |
InChI=1S/C30H31FN10O2/c1-4-40-17-18(14-34-40)30(28-38-41(29(42)43-28)12-11-39(2)3)26-21(20-7-5-6-8-22(20)35-26)13-24(37-30)27-33-16-25(36-27)23-10-9-19(31)15-32-23/h5-10,14-17,24,35,37H,4,11-13H2,1-3H3,(H,33,36)/t24-,30-/m1/s1
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| InChIKey |
LBSICHKGZQMHLT-AYWVHJORSA-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