General Information of the Compound
| Compound ID |
CP0579941
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| Compound Name |
1-[4-[4-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O)C(=O)N1CCCC1
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| InChI |
InChI=1S/C26H30N4O3/c1-17(31)29-13-8-18(9-14-29)23-16-22-20(7-10-27-25(22)28-23)21-6-5-19(15-24(21)33-2)26(32)30-11-3-4-12-30/h5-7,10,15-16,18H,3-4,8-9,11-14H2,1-2H3,(H,27,28)
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| InChIKey |
VEWWUOIYXXDOPI-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