General Information of the Compound
| Compound ID |
CP0554046
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| Compound Name |
N,N-dimethyl-2-[4-[4-[1-(oxan-4-ylmethyl)-6-oxopyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C27H35N5O3
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| Molecular Weight |
477.609
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| Canonical SMILES |
CN(C)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(CC2CCOCC2)c1
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| InChI |
InChI=1S/C27H35N5O3/c1-30(2)26(34)18-31-11-6-20(7-12-31)24-15-23-22(5-10-28-27(23)29-24)21-3-4-25(33)32(17-21)16-19-8-13-35-14-9-19/h3-5,10,15,17,19-20H,6-9,11-14,16,18H2,1-2H3,(H,28,29)
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| InChIKey |
MMAIFDSGMXPVOC-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