General Information of the Compound
| Compound ID |
CP0411291
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| Compound Name |
CHEMBL3394392
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| Formula |
C17H25N3O2
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| Molecular Weight |
303.406
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(n1)N1CCCCC1
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| InChI |
InChI=1S/C17H25N3O2/c21-14-9-7-13(8-10-14)18-17(22)15-5-4-6-16(19-15)20-11-2-1-3-12-20/h4-6,13-14,21H,1-3,7-12H2,(H,18,22)/t13-,14-
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| InChIKey |
ONKHZTBHEBDAKV-HDJSIYSDSA-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