General Information of the Compound
| Compound ID |
CP0053159
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| Compound Name |
2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-benzamide
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| Structure |
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| Formula |
C22H21ClN6O2
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| Molecular Weight |
436.903
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| Canonical SMILES |
CN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(N)=O)n3)cc2CCCC1=O
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| InChI |
InChI=1S/C22H21ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,24,31)(H2,25,26,27,28)
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| InChIKey |
OLZPYOIWNSDNMX-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