General Information of the Compound
| Compound ID |
CP0462908
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| Compound Name |
(R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[propyl-(4-trifluoromethyl-pyrimidin-2-yl)-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid
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| Structure |
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| Formula |
C31H41F4N5O2
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| Molecular Weight |
591.694
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| Canonical SMILES |
CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1nccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C31H41F4N5O2/c1-2-13-40(30-36-12-9-28(37-30)31(33,34)35)25-10-14-38(15-11-25)18-23-19-39(27(29(41)42)16-21-5-3-6-21)20-26(23)22-7-4-8-24(32)17-22/h4,7-9,12,17,21,23,25-27H,2-3,5-6,10-11,13-16,18-20H2,1H3,(H,41,42)/t23-,26+,27+/m0/s1
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| InChIKey |
DGKVXHKWDZKIDE-HUROMRQRSA-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