General Information of the Compound
| Compound ID |
CP0412616
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| Compound Name |
4-{[1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-5-yl]oxy}butan-1-ol
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| Structure |
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| Formula |
C26H37NO4
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| Molecular Weight |
427.585
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| Canonical SMILES |
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCO)cc23)C1(C)C
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| InChI |
InChI=1S/C26H37NO4/c1-25(2)24(26(25,3)4)23(29)21-17-27(16-18-9-13-30-14-10-18)22-8-7-19(15-20(21)22)31-12-6-5-11-28/h7-8,15,17-18,24,28H,5-6,9-14,16H2,1-4H3
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| InChIKey |
XKZHZNUJAKUQJN-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