General Information of the Compound
| Compound ID |
CP0373400
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| Compound Name |
1-(oxan-4-ylmethyl)-5-phenyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
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| Structure |
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| Formula |
C28H33NO2
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| Molecular Weight |
415.577
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| Canonical SMILES |
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(cc23)-c2ccccc2)C1(C)C
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| InChI |
InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-11-10-21(16-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3
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| InChIKey |
AVZZJQBTDOHRFF-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