General Information of the Compound
| Compound ID |
CP0566178
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| Compound Name |
CHEMBL3361187
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| Formula |
C22H28N4O3
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| Molecular Weight |
396.491
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C22H28N4O3/c27-21(28)18-8-6-16(7-9-18)15-23-22-24-19(17-4-2-1-3-5-17)14-20(25-22)26-10-12-29-13-11-26/h1-5,14,16,18H,6-13,15H2,(H,27,28)(H,23,24,25)/t16-,18-
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| InChIKey |
JEALVNJTPRAPPK-SAABIXHNSA-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