General Information of the Compound
| Compound ID |
CP0491574
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| Compound Name |
1-(2-bromophenyl)-3-[(3S)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
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| Structure |
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| Formula |
C17H16BrF3N4O
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| Molecular Weight |
429.24
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| Canonical SMILES |
FC(F)(F)c1ccc(nc1)N1CC[C@@H](C1)NC(=O)Nc1ccccc1Br
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| InChI |
InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m0/s1
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| InChIKey |
JYILLRHXRVTRSH-LBPRGKRZSA-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