General Information of the Compound
| Compound ID |
CP0843102
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| Compound Name |
3-((1R,3R)-1-(1-(cyclopropylmethyl)-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 |
C29H26FN9O
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| Molecular Weight |
535.587
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| Canonical SMILES |
Cc1nc([C@]2(c3cnn(CC4CC4)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1
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| InChI |
InChI=1S/C29H26FN9O/c1-16-34-28(38-40-16)29(18-11-33-39(15-18)14-17-6-7-17)26-21(20-4-2-3-5-22(20)35-26)10-24(37-29)27-32-13-25(36-27)23-9-8-19(30)12-31-23/h2-5,8-9,11-13,15,17,24,35,37H,6-7,10,14H2,1H3,(H,32,36)/t24-,29-/m1/s1
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| InChIKey |
GEVPOPFBQAYDNK-FUFSCUOVSA-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