General Information of the Compound
| Compound ID |
CP0525649
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| Compound Name |
[4-(piperidin-1-ylmethyl)phenyl] 1H-indole-3-carboxylate
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
O=C(Oc1ccc(CN2CCCCC2)cc1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C21H22N2O2/c24-21(19-14-22-20-7-3-2-6-18(19)20)25-17-10-8-16(9-11-17)15-23-12-4-1-5-13-23/h2-3,6-11,14,22H,1,4-5,12-13,15H2
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| InChIKey |
FMEBLCVXTAPZLR-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