General Information of the Compound
| Compound ID |
CP0571964
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| Compound Name |
2-[[(4-tert-butylbenzoyl)amino]methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1C(N)=O)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C25H25N5O2/c1-25(2,3)18-8-6-15(7-9-18)24(32)28-13-17-5-4-16(12-20(17)22(26)31)21-19-10-11-27-23(19)30-14-29-21/h4-12,14H,13H2,1-3H3,(H2,26,31)(H,28,32)(H,27,29,30)
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| InChIKey |
SWPHAXOFCBWDRJ-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