General Information of the Compound
| Compound ID |
CP0577481
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| Compound Name |
N,N-dimethyl-2-[4-[4-[1-[2-(oxan-4-yl)ethyl]-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 |
C28H37N5O3
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| Molecular Weight |
491.636
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| Canonical SMILES |
CN(C)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(CCC2CCOCC2)c1
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| InChI |
InChI=1S/C28H37N5O3/c1-31(2)27(35)19-32-12-7-21(8-13-32)25-17-24-23(5-11-29-28(24)30-25)22-3-4-26(34)33(18-22)14-6-20-9-15-36-16-10-20/h3-5,11,17-18,20-21H,6-10,12-16,19H2,1-2H3,(H,29,30)
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| InChIKey |
POZCQCWDUCWGPI-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