General Information of the Compound
| Compound ID |
CP0578624
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| Compound Name |
[(2R,4S)-4-(4-chlorophenyl)pyrrolidin-2-yl]-(1,3-dihydroisoindol-2-yl)methanone
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| Structure |
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| Formula |
C19H19ClN2O
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| Molecular Weight |
326.827
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| Canonical SMILES |
Clc1ccc(cc1)[C@H]1CN[C@H](C1)C(=O)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C19H19ClN2O/c20-17-7-5-13(6-8-17)16-9-18(21-10-16)19(23)22-11-14-3-1-2-4-15(14)12-22/h1-8,16,18,21H,9-12H2/t16-,18-/m1/s1
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| InChIKey |
KSRPCTNRBPRPAK-SJLPKXTDSA-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