General Information of the Compound
| Compound ID |
CP0503310
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| Compound Name |
2-(3,4-difluorophenoxy)-N-((1S,3S)-3-(1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-ylamino)cyclopentyl)acetamide
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| Structure |
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| Formula |
C24H22F5N3O2
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| Molecular Weight |
479.449
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| Canonical SMILES |
Fc1ccc(OCC(=O)N[C@H]2CC[C@@H](C2)Nc2ccn(c2)-c2ccc(cc2)C(F)(F)F)cc1F
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| InChI |
InChI=1S/C24H22F5N3O2/c25-21-8-7-20(12-22(21)26)34-14-23(33)31-17-4-3-16(11-17)30-18-9-10-32(13-18)19-5-1-15(2-6-19)24(27,28)29/h1-2,5-10,12-13,16-17,30H,3-4,11,14H2,(H,31,33)/t16-,17-/m0/s1
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| InChIKey |
SEKVILZRGOVORW-IRXDYDNUSA-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