General Information of the Compound
| Compound ID |
CP0391017
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| Compound Name |
2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C22H23ClN6O
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| Molecular Weight |
422.92
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| Canonical SMILES |
CN1CCN(CC1)c1ccnc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
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| InChI |
InChI=1S/C22H23ClN6O/c1-28-10-12-29(13-11-28)19-8-9-24-21-17(19)14-18(25-21)22-26-20(27-30-22)7-4-15-2-5-16(23)6-3-15/h2-3,5-6,8-9,14H,4,7,10-13H2,1H3,(H,24,25)
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| InChIKey |
YEVWQKVDQWPJNY-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