General Information of the Compound
| Compound ID |
CP0405172
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| Compound Name |
5-chloro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
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| Structure |
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| Formula |
C22H28ClNO2
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| Molecular Weight |
373.924
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| Canonical SMILES |
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Cl)cc23)C1(C)C
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| InChI |
InChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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| InChIKey |
IJADFXIQDFOUAG-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