General Information of the Compound
| Compound ID |
CP0568678
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| Compound Name |
CHEMBL4645640
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| Formula |
C21H30N2O2
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| Molecular Weight |
342.483
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| Canonical SMILES |
C\C(=C/c1ccccc1)[C@@H]1C[C@H]1N[C@H]1CC[C@@H](CC1)NCCC(O)=O
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| InChI |
InChI=1S/C21H30N2O2/c1-15(13-16-5-3-2-4-6-16)19-14-20(19)23-18-9-7-17(8-10-18)22-12-11-21(24)25/h2-6,13,17-20,22-23H,7-12,14H2,1H3,(H,24,25)/b15-13+/t17-,18-,19-,20+/m0/s1
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| InChIKey |
TUGFKHCFPLDDPD-QJFVFMSBSA-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