General Information of the Compound
| Compound ID |
CP0574215
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| Compound Name |
2-(dicyclopropylmethyl)-7-methyl-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-isoindol-1-one
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| Formula |
C28H26N4O
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| Molecular Weight |
434.543
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| Canonical SMILES |
Cc1cc(cc2CN(C(C3CC3)C3CC3)C(=O)c12)-c1cnc2[nH]cc(-c3ccncc3)c2c1
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| InChI |
InChI=1S/C28H26N4O/c1-16-10-20(11-22-15-32(28(33)25(16)22)26(18-2-3-18)19-4-5-19)21-12-23-24(14-31-27(23)30-13-21)17-6-8-29-9-7-17/h6-14,18-19,26H,2-5,15H2,1H3,(H,30,31)
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| InChIKey |
CKTQJMYMYXFMRV-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