General Information of the Compound
| Compound ID |
CP0509390
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| Compound Name |
((2S,4S)-1-benzoyl-4-phenylpyrrolidin-2-yl)(spiro[indene-1,4'-piperidine]-1'-yl)methanone
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| Structure |
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| Formula |
C31H30N2O2
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| Molecular Weight |
462.593
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| Canonical SMILES |
O=C([C@@H]1C[C@H](CN1C(=O)c1ccccc1)c1ccccc1)N1CCC2(CC1)C=Cc1ccccc21
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| InChI |
InChI=1S/C31H30N2O2/c34-29(25-12-5-2-6-13-25)33-22-26(23-9-3-1-4-10-23)21-28(33)30(35)32-19-17-31(18-20-32)16-15-24-11-7-8-14-27(24)31/h1-16,26,28H,17-22H2/t26-,28+/m1/s1
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| InChIKey |
CLLBYTVFTFAAOX-IAPPQJPRSA-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