General Information of the Compound
| Compound ID |
CP0466201
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| Compound Name |
CHEMBL2414699
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| Formula |
C22H26N4O4
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| Molecular Weight |
410.474
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| Canonical SMILES |
COC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O
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| InChI |
InChI=1S/C22H26N4O4/c1-29-18(27)12-14-2-4-15(5-3-14)16-6-8-17(9-7-16)26-10-11-30-21-19(22(26)28)20(23)24-13-25-21/h6-9,13-15H,2-5,10-12H2,1H3,(H2,23,24,25)/t14-,15-
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| InChIKey |
VREDYRHKGZWDKN-SHTZXODSSA-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