General Information of the Compound
| Compound ID |
CP0441650
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| Compound Name |
[3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-2-methylindol-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C29H28N2O3
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| Molecular Weight |
452.554
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1C(=O)c1ccccc1
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| InChI |
InChI=1S/C29H28N2O3/c1-21-26(24-14-8-9-15-25(24)31(21)27(32)23-12-6-3-7-13-23)28(33)30-18-16-29(34,17-19-30)20-22-10-4-2-5-11-22/h2-15,34H,16-20H2,1H3
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| InChIKey |
SQWGZHMEAFHFQI-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