General Information of the Compound
| Compound ID |
CP0062311
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| Compound Name |
3-[4-(4-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[3-(dimethylamino)propyl]benzamide
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
CN(C)CCCNC(=O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C26H27N5O2/c1-31(2)14-4-12-29-26(33)20-6-3-5-19(15-20)23-16-22-21(11-13-28-25(22)30-23)17-7-9-18(10-8-17)24(27)32/h3,5-11,13,15-16H,4,12,14H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33)
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| InChIKey |
QMYPKGGBVVCXIE-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