General Information of the Compound
| Compound ID |
CP0449603
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| Compound Name |
(2Z)-N-(3-{2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}propyl)-3-(2-methoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C26H32N2O2
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| Molecular Weight |
404.554
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| Canonical SMILES |
COc1ccccc1\C=C/C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C26H32N2O2/c1-30-24-10-5-3-8-22(24)11-12-25(29)27-17-6-18-28-19-15-26(16-20-28)14-13-21-7-2-4-9-23(21)26/h2-5,7-12H,6,13-20H2,1H3,(H,27,29)/b12-11-
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| InChIKey |
XWZAXTMSNMGCNP-QXMHVHEDSA-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