General Information of the Compound
| Compound ID |
CP0570553
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| Compound Name |
N-[3-[4-[(2-benzyl-3H-benzimidazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
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| Formula |
C29H23N7O
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| Molecular Weight |
485.551
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| Canonical SMILES |
C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc4[nH]c(Cc5ccccc5)nc4c3)c12
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| InChI |
InChI=1S/C29H23N7O/c1-2-26(37)33-20-10-6-9-19(14-20)22-16-30-28-27(22)29(32-17-31-28)34-21-11-12-23-24(15-21)36-25(35-23)13-18-7-4-3-5-8-18/h2-12,14-17H,1,13H2,(H,33,37)(H,35,36)(H2,30,31,32,34)
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| InChIKey |
FTYPOENSOIEBPX-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