General Information of the Compound
| Compound ID |
CP0462069
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| Compound Name |
(3R,4S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
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| Structure |
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| Formula |
C23H25FN4O2S
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| Molecular Weight |
440.544
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@H](N[C@@H]2CCc3ccccc23)[C@H](C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H25FN4O2S/c1-27-14-23(25-15-27)31(29,30)28-12-20(17-6-9-18(24)10-7-17)22(13-28)26-21-11-8-16-4-2-3-5-19(16)21/h2-7,9-10,14-15,20-22,26H,8,11-13H2,1H3/t20-,21-,22+/m1/s1
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| InChIKey |
XCWYUKRBPHBJPR-VSKRKVRLSA-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