General Information of the Compound
| Compound ID |
CP0456257
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| Compound Name |
CHEMBL2397365
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| Formula |
C21H33N3O
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| Molecular Weight |
343.515
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccccn1)C(=O)[C@H]1CC[C@@H](CC1)C(C)(C)C
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| InChI |
InChI=1S/C21H33N3O/c1-16-15-23(13-14-24(16)19-7-5-6-12-22-19)20(25)17-8-10-18(11-9-17)21(2,3)4/h5-7,12,16-18H,8-11,13-15H2,1-4H3/t16-,17-,18-/m1/s1
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| InChIKey |
CZZLAXLHICNUBR-KZNAEPCWSA-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