General Information of the Compound
| Compound ID |
CP0963886
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| Compound Name |
2-[[4-[4-(5-fluoro-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-yl]amino]acetic acid
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| Structure |
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| Formula |
C22H22FN3O3
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| Molecular Weight |
395.434
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| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(NCC(=O)O)CC3)cc12
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| InChI |
InChI=1S/C22H22FN3O3/c1-29-20-7-4-14(23)10-17(20)16-8-9-24-22-18(16)11-19(26-22)13-2-5-15(6-3-13)25-12-21(27)28/h2,4,7-11,15,25H,3,5-6,12H2,1H3,(H,24,26)(H,27,28)
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| InChIKey |
HUXIUBXCPRIWRC-UHFFFAOYSA-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