General Information of the Compound
| Compound ID |
CP0448004
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| Compound Name |
4-[4-[(4-cyanobenzoyl)amino]phenyl]-7-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C28H27N7O2
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| Molecular Weight |
493.571
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| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)c2ccc(cc2)C#N)cc1)C(=O)NCCN1CCCC1
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| InChI |
InChI=1S/C28H27N7O2/c1-34-24(28(37)30-12-15-35-13-2-3-14-35)16-23-25(31-18-32-26(23)34)20-8-10-22(11-9-20)33-27(36)21-6-4-19(17-29)5-7-21/h4-11,16,18H,2-3,12-15H2,1H3,(H,30,37)(H,33,36)
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| InChIKey |
DSFBABFSUFTFPT-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