General Information of the Compound
| Compound ID |
CP0293013
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| Compound Name |
2-{5-Chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino]-pyrimidin-4-ylamino}-N-methyl-benzamide
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| Structure |
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| Formula |
C25H29ClN6O2
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| Molecular Weight |
481
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
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| InChI |
InChI=1S/C25H29ClN6O2/c1-27-24(33)20-5-3-4-6-22(20)30-23-21(26)16-28-25(31-23)29-19-8-7-17-9-11-32(13-14-34-2)12-10-18(17)15-19/h3-8,15-16H,9-14H2,1-2H3,(H,27,33)(H2,28,29,30,31)
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| InChIKey |
LLYDHPYAMNHNIM-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