General Information of the Compound
| Compound ID |
CP0554578
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| Compound Name |
CHEMBL2408576
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| Formula |
C16H23N3O
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| Molecular Weight |
273.38
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| Canonical SMILES |
C[C@H]1CC[C@@H](CC1)Nc1ncc2C(=O)CC(C)Cc2n1
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| InChI |
InChI=1S/C16H23N3O/c1-10-3-5-12(6-4-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h9-12H,3-8H2,1-2H3,(H,17,18,19)/t10-,11?,12-
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| InChIKey |
NRAQZZMWTWPSPY-XYWYRZBCSA-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