General Information of the Compound
| Compound ID |
CP0543123
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| Compound Name |
(1S,9S,10R)-17-hexyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,13-tetraene-4,10-diol
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| Structure |
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| Formula |
C22H31NO2
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| Molecular Weight |
341.495
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| Canonical SMILES |
CCCCCCN1CC[C@@]23C=CCC[C@]2(O)[C@@H]1Cc1ccc(O)cc31
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| InChI |
InChI=1S/C22H31NO2/c1-2-3-4-7-13-23-14-12-21-10-5-6-11-22(21,25)20(23)15-17-8-9-18(24)16-19(17)21/h5,8-10,16,20,24-25H,2-4,6-7,11-15H2,1H3/t20-,21+,22-/m0/s1
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| InChIKey |
MBJPLGGGYWLQIM-BDTNDASRSA-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