General Information of the Compound
| Compound ID |
CP0493015
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| Compound Name |
[4-(pyrrolidin-1-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate
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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(Cc1c[nH]c2ccccc12)Oc1ccc(CN2CCCC2)cc1
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| InChI |
InChI=1S/C21H22N2O2/c24-21(13-17-14-22-20-6-2-1-5-19(17)20)25-18-9-7-16(8-10-18)15-23-11-3-4-12-23/h1-2,5-10,14,22H,3-4,11-13,15H2
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| InChIKey |
MGABSVMDBFILDY-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