General Information of the Compound
| Compound ID |
CP0199414
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| Compound Name |
5-benzoyl-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide
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| Structure |
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| Formula |
C25H23N3O3
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| Molecular Weight |
413.477
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| Canonical SMILES |
Oc1ccc2[nH]cc(CCNC(=O)C3CCn4c3ccc4C(=O)c3ccccc3)c2c1
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| InChI |
InChI=1S/C25H23N3O3/c29-18-6-7-21-20(14-18)17(15-27-21)10-12-26-25(31)19-11-13-28-22(19)8-9-23(28)24(30)16-4-2-1-3-5-16/h1-9,14-15,19,27,29H,10-13H2,(H,26,31)
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| InChIKey |
TYNSHDHFCDCPDO-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