General Information of the Compound
| Compound ID |
CP0268699
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| Compound Name |
N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-3-tert-butylpyridine-4-carboxamide
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| Structure |
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| Formula |
C28H28N8O
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| Molecular Weight |
492.587
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
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| InChI |
InChI=1S/C28H28N8O/c1-17-9-10-18(33-26(37)19-11-12-30-15-20(19)28(2,3)4)13-22(17)35-27-34-21-7-5-6-8-23(21)36(27)25-14-24(29)31-16-32-25/h5-16H,1-4H3,(H,33,37)(H,34,35)(H2,29,31,32)
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| InChIKey |
SHMSECDXWNWTEF-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