General Information of the Compound
| Compound ID |
CP0576423
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| Compound Name |
N,N-dimethyl-2-[4-[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C27H34N6O
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| Molecular Weight |
458.61
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| Canonical SMILES |
CC(C)n1c(C)nc2ccc(cc12)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
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| InChI |
InChI=1S/C27H34N6O/c1-17(2)33-18(3)29-23-7-6-20(14-25(23)33)21-8-11-28-27-22(21)15-24(30-27)19-9-12-32(13-10-19)16-26(34)31(4)5/h6-8,11,14-15,17,19H,9-10,12-13,16H2,1-5H3,(H,28,30)
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| InChIKey |
AHFARWUGWOGTLO-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