General Information of the Compound
| Compound ID |
CP0919746
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| Compound Name |
(4,5-bis((tetrahydro-2H-pyran-4-yl)methyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
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| Structure |
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| Formula |
C29H39NO5
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| Molecular Weight |
481.633
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| Canonical SMILES |
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(CC4CCOCC4)c4c(cc23)OCO4)C1(C)C
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| InChI |
InChI=1S/C29H39NO5/c1-28(2)27(29(28,3)4)25(31)22-16-30(15-19-7-11-33-12-8-19)24-20(22)14-23-26(35-17-34-23)21(24)13-18-5-9-32-10-6-18/h14,16,18-19,27H,5-13,15,17H2,1-4H3
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| InChIKey |
RPYAZLICDPOZAC-UHFFFAOYSA-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