General Information of the Compound
| Compound ID |
CP0443451
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| Compound Name |
4-[4-[(4-cyanobenzoyl)amino]phenyl]-7-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C29H29N7O3
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| Molecular Weight |
523.597
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| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)c2ccc(cc2)C#N)cc1)C(=O)NCCCN1CCOCC1
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| InChI |
InChI=1S/C29H29N7O3/c1-35-25(29(38)31-11-2-12-36-13-15-39-16-14-36)17-24-26(32-19-33-27(24)35)21-7-9-23(10-8-21)34-28(37)22-5-3-20(18-30)4-6-22/h3-10,17,19H,2,11-16H2,1H3,(H,31,38)(H,34,37)
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| InChIKey |
UQZJYSAYRDKDNV-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