General Information of the Compound
| Compound ID |
CP0406308
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| Compound Name |
(2R,4S)-2-[(2S,3S)-3-{4-[5-(3-Cyano-4-methoxy-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 |
C36H46FN5O3
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| Molecular Weight |
615.794
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| Canonical SMILES |
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(c3)C#N)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C36H46FN5O3/c1-5-24(3)35(36(43)44)41-22-29(32(23-41)27-8-7-9-30(37)18-27)21-40-14-12-26(13-15-40)33-19-31(39-42(33)6-2)17-25-10-11-34(45-4)28(16-25)20-38/h7-11,16,18-19,24,26,29,32,35H,5-6,12-15,17,21-23H2,1-4H3,(H,43,44)/t24-,29-,32+,35+/m0/s1
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| InChIKey |
JLQAWCSYGCHXFR-XWHDRLKKSA-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