General Information of the Compound
Compound ID |
CP0373396
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Compound Name |
5-(oxan-4-ylmethyl)-7-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole
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Structure |
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Formula |
C23H29NO4
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Molecular Weight |
383.488
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Canonical SMILES |
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4OCOc4cc23)C1(C)C
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InChI |
InChI=1S/C23H29NO4/c1-22(2)21(23(22,3)4)20(25)16-12-24(11-14-5-7-26-8-6-14)17-10-19-18(9-15(16)17)27-13-28-19/h9-10,12,14,21H,5-8,11,13H2,1-4H3
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InChIKey |
XRCNHDKTUWVWGJ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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