General Information of the Compound
| Compound ID |
CP0554224
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| Compound Name |
CHEMBL4649322
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| Formula |
C20H28N2O
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| Molecular Weight |
312.457
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| Canonical SMILES |
CC(=O)N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1
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| InChI |
InChI=1S/C20H28N2O/c1-14(12-16-6-4-3-5-7-16)19-13-20(19)22-18-10-8-17(9-11-18)21-15(2)23/h3-7,12,17-20,22H,8-11,13H2,1-2H3,(H,21,23)/b14-12+/t17-,18-,19-,20+/m0/s1
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| InChIKey |
IJJYTQJZMDYJIJ-YQSRCUQFSA-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