General Information of the Compound
| Compound ID |
CP0515838
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| Compound Name |
(2Z)-N-(3-{2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}propyl)-2-acetamido-3-phenylprop-2-enamide
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| Structure |
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| Formula |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
CC(=O)N\C(=C/c1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C27H33N3O2/c1-21(31)29-25(20-22-8-3-2-4-9-22)26(32)28-16-7-17-30-18-14-27(15-19-30)13-12-23-10-5-6-11-24(23)27/h2-6,8-11,20H,7,12-19H2,1H3,(H,28,32)(H,29,31)/b25-20-
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| InChIKey |
JOTMCTUSSCIKOE-QQTULTPQSA-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