General Information of the Compound
| Compound ID |
CP0388931
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| Compound Name |
CHEMBL3741548
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| Formula |
C22H32N4O2
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| Molecular Weight |
384.524
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| Canonical SMILES |
CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(CC(C)(C)CO)C[C@H]23)c2ccccn12
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| InChI |
InChI=1S/C22H32N4O2/c1-14(2)20-24-19(18-7-5-6-8-26(18)20)21(28)23-9-15-16-10-25(11-17(15)16)12-22(3,4)13-27/h5-8,14-17,27H,9-13H2,1-4H3,(H,23,28)/t15-,16-,17+
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| InChIKey |
LNKSFAKJANXYSA-OSYLJGHBSA-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