General Information of the Compound
| Compound ID |
CP0490201
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| Compound Name |
(2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Cyclopropoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid
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| Structure |
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| Formula |
C37H49FN4O3
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| Molecular Weight |
616.822
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| Canonical SMILES |
CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC4CC4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C37H49FN4O3/c1-4-25(3)36(37(43)44)41-23-29(34(24-41)28-7-6-8-30(38)20-28)22-40-17-15-27(16-18-40)35-21-31(39-42(35)5-2)19-26-9-11-32(12-10-26)45-33-13-14-33/h6-12,20-21,25,27,29,33-34,36H,4-5,13-19,22-24H2,1-3H3,(H,43,44)/t25-,29+,34-,36-/m1/s1
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| InChIKey |
DYYAUPMKHPMGJX-SCBPGGBZSA-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