General Information of the Compound
| Compound ID |
CP0509355
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| Compound Name |
(2S)-1-benzoyl-N-(3-{2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}propyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H35N3O2
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| Molecular Weight |
445.607
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| Canonical SMILES |
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1C(=O)c1ccccc1
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| InChI |
InChI=1S/C28H35N3O2/c32-26(25-12-6-19-31(25)27(33)23-9-2-1-3-10-23)29-17-7-18-30-20-15-28(16-21-30)14-13-22-8-4-5-11-24(22)28/h1-5,8-11,25H,6-7,12-21H2,(H,29,32)/t25-/m0/s1
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| InChIKey |
ROOGZRDOGSOPFZ-VWLOTQADSA-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