General Information of the Compound
| Compound ID |
CP0074484
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| Compound Name |
4-[2-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzonitrile
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| Structure |
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| Formula |
C29H30N4O
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| Molecular Weight |
450.586
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| Canonical SMILES |
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
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| InChI |
InChI=1S/C29H30N4O/c1-19(2)25-15-22(6-7-23(25)17-30)24-8-9-31-29-27(24)16-28(32-29)26-14-21(5-4-20(26)3)18-33-10-12-34-13-11-33/h4-9,14-16,19H,10-13,18H2,1-3H3,(H,31,32)
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| InChIKey |
XNMVNLJRNBVSOA-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