General Information of the Compound
| Compound ID |
CP0545201
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| Compound Name |
2-[4-[4-(1-ethyl-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 |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
CCn1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
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| InChI |
InChI=1S/C23H29N5O2/c1-4-28-14-17(5-6-21(28)29)18-7-10-24-23-19(18)13-20(25-23)16-8-11-27(12-9-16)15-22(30)26(2)3/h5-7,10,13-14,16H,4,8-9,11-12,15H2,1-3H3,(H,24,25)
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| InChIKey |
AMLPVEOYWBLMNA-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