General Information of the Compound
| Compound ID |
CP0449495
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| Compound Name |
(S)-2,3,6,7-tetramethoxy-8b,9,10,11,12,12a-hexahydro-9a-aza-cyclopenta[b]triphenylene
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
COc1cc2C3CN4CCC[C@H]4C=C3c3cc(OC)c(OC)cc3-c2cc1OC
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| InChI |
InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h8-12,14,20H,5-7,13H2,1-4H3/t14-,20?/m0/s1
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| InChIKey |
AVTCXJVXWDPCND-PVCZSOGJSA-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