General Information of the Compound
| Compound ID |
CP0532819
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| Compound Name |
(3R,4S)-4-(1,3-dioxan-2-yl)-1-(1-methylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C19H23F3N4O5S
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| Molecular Weight |
476.477
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)C1OCCCO1
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| InChI |
InChI=1S/C19H23F3N4O5S/c1-25-11-17(23-12-25)32(27,28)26-9-15(18-29-6-3-7-30-18)16(10-26)24-13-4-2-5-14(8-13)31-19(20,21)22/h2,4-5,8,11-12,15-16,18,24H,3,6-7,9-10H2,1H3/t15-,16-/m0/s1
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| InChIKey |
RALCEFHEAUSKEE-HOTGVXAUSA-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