General Information of the Compound
| Compound ID |
CP0565169
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| Compound Name |
CHEMBL4440524
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| Formula |
C22H28N4O3
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| Molecular Weight |
396.491
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CC1)c1ccccc1)c1[nH]c(=O)[nH]c(=O)c1NC1CCCC1
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| InChI |
InChI=1S/C22H28N4O3/c27-20(24-17-12-10-15(11-13-17)14-6-2-1-3-7-14)19-18(21(28)26-22(29)25-19)23-16-8-4-5-9-16/h1-3,6-7,15-17,23H,4-5,8-13H2,(H,24,27)(H2,25,26,28,29)/t15-,17+
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| InChIKey |
HUYVVZXJXFMOJJ-WOVMCDHWSA-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