General Information of the Compound
| Compound ID |
CP0055315
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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}-3,N-dimethyl-benzamide
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| Structure |
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| Formula |
C26H31ClN6O2
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| Molecular Weight |
495.027
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| Canonical SMILES |
CNC(=O)c1cccc(C)c1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
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| InChI |
InChI=1S/C26H31ClN6O2/c1-17-5-4-6-21(25(34)28-2)23(17)31-24-22(27)16-29-26(32-24)30-20-8-7-18-9-11-33(13-14-35-3)12-10-19(18)15-20/h4-8,15-16H,9-14H2,1-3H3,(H,28,34)(H2,29,30,31,32)
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| InChIKey |
HWQSQWILDDXRQJ-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