General Information of the Compound
| Compound ID |
CP0546230
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| Compound Name |
2-[4-[4-(1-cyclobutyl-6-oxopyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C25H31N5O2
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| Molecular Weight |
433.556
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| Canonical SMILES |
CN(C)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(c1)C1CCC1
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| InChI |
InChI=1S/C25H31N5O2/c1-28(2)24(32)16-29-12-9-17(10-13-29)22-14-21-20(8-11-26-25(21)27-22)18-6-7-23(31)30(15-18)19-4-3-5-19/h6-8,11,14-15,17,19H,3-5,9-10,12-13,16H2,1-2H3,(H,26,27)
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| InChIKey |
UGLAUSUYIWERBZ-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