General Information of the Compound
| Compound ID |
CP0452765
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| Compound Name |
(12aS,13S)-2,6,7-trimethoxy-9,10,11,12,12a,13-hexahydro-9a-aza-cyclopenta[b]triphenylene-3,13-diol
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| Structure |
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| Formula |
C23H25NO5
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| Molecular Weight |
395.455
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| Canonical SMILES |
COc1cc2c3[C@H](O)[C@@H]4CCCN4Cc3c3cc(OC)c(OC)cc3c2cc1O
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| InChI |
InChI=1S/C23H25NO5/c1-27-19-10-15-12(7-18(19)25)13-8-20(28-2)21(29-3)9-14(13)16-11-24-6-4-5-17(24)23(26)22(15)16/h7-10,17,23,25-26H,4-6,11H2,1-3H3/t17-,23+/m0/s1
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| InChIKey |
OOHJIHBAUQYQJY-GAJHUEQPSA-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