General Information of the Compound
| Compound ID |
CP0542054
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| Compound Name |
2-[3-{4-[2-Ethyl-5-(4-isopropoxy-benzyl)-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 |
C37H51FN4O3
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| Molecular Weight |
618.838
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| Canonical SMILES |
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(C)C)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C37H51FN4O3/c1-6-26(5)36(37(43)44)41-23-30(34(24-41)29-9-8-10-31(38)20-29)22-40-17-15-28(16-18-40)35-21-32(39-42(35)7-2)19-27-11-13-33(14-12-27)45-25(3)4/h8-14,20-21,25-26,28,30,34,36H,6-7,15-19,22-24H2,1-5H3,(H,43,44)/t26-,30-,34+,36+/m0/s1
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| InChIKey |
OYTNIRQQOVWLED-NGZLLANBSA-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