General Information of the Compound
| Compound ID |
CP0957156
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| Compound Name |
rac-2-(1-Cyclopropylethyl)-7-methyl-5-[3-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C26H24N4O
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| Molecular Weight |
408.505
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc2c1C(=O)N(C(C)C1CC1)C2
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| InChI |
InChI=1S/C26H24N4O/c1-15-8-19(9-21-14-30(26(31)24(15)21)16(2)17-5-6-17)20-10-22-23(13-29-25(22)28-12-20)18-4-3-7-27-11-18/h3-4,7-13,16-17H,5-6,14H2,1-2H3,(H,28,29)
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| InChIKey |
BCFASZAYYPQAQT-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