General Information of the Compound
| Compound ID |
CP0408391
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| Compound Name |
(R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(4-propoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid
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| Structure |
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| Formula |
C39H53FN4O3
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| Molecular Weight |
644.876
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| Canonical SMILES |
CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C4CCCCC4)C(O)=O)CC3)n(CC)n2)cc1
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| InChI |
InChI=1S/C39H53FN4O3/c1-3-21-47-35-15-13-28(14-16-35)22-34-24-37(44(4-2)41-34)29-17-19-42(20-18-29)25-32-26-43(27-36(32)31-11-8-12-33(40)23-31)38(39(45)46)30-9-6-5-7-10-30/h8,11-16,23-24,29-30,32,36,38H,3-7,9-10,17-22,25-27H2,1-2H3,(H,45,46)/t32-,36+,38+/m0/s1
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| InChIKey |
VWYAKQIBNSPPEC-GFJCEQABSA-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