General Information of the Compound
| Compound ID |
CP0389783
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| Compound Name |
CHEMBL4093543
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| Formula |
C21H25N3O3
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| Molecular Weight |
367.449
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| Canonical SMILES |
COc1ccc(C[C@H]2CC[C@](O)(Cc3cc(on3)-c3cn[nH]c3)CC2)cc1
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| InChI |
InChI=1S/C21H25N3O3/c1-26-19-4-2-15(3-5-19)10-16-6-8-21(25,9-7-16)12-18-11-20(27-24-18)17-13-22-23-14-17/h2-5,11,13-14,16,25H,6-10,12H2,1H3,(H,22,23)/t16-,21+
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| InChIKey |
FPZWRKGJZUKONT-NBEIKUQISA-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