General Information of the Compound
| Compound ID |
CP0074471
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| Compound Name |
4-[2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzonitrile
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| Structure |
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| Formula |
C30H32N4O2
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| Molecular Weight |
480.612
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| Canonical SMILES |
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
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| InChI |
InChI=1S/C30H32N4O2/c1-20(2)27-17-22(4-5-23(27)19-31)26-8-9-32-30-28(26)18-29(33-30)25-7-6-24(16-21(25)3)36-15-12-34-10-13-35-14-11-34/h4-9,16-18,20H,10-15H2,1-3H3,(H,32,33)
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| InChIKey |
QSTGCWGHXBTQEI-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