General Information of the Compound
| Compound ID |
CP0501580
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| Compound Name |
(R)-2-[(2S,3S)-3-{4-[5-(4-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid
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| Structure |
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| Formula |
C38H53FN4O3
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| Molecular Weight |
632.865
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| Canonical SMILES |
CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@@H](C(O)=O)C(C)(C)C)CC3)n(CC)n2)cc1
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| InChI |
InChI=1S/C38H53FN4O3/c1-6-8-20-46-33-14-12-27(13-15-33)21-32-23-35(43(7-2)40-32)28-16-18-41(19-17-28)24-30-25-42(36(37(44)45)38(3,4)5)26-34(30)29-10-9-11-31(39)22-29/h9-15,22-23,28,30,34,36H,6-8,16-21,24-26H2,1-5H3,(H,44,45)/t30-,34+,36-/m0/s1
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| InChIKey |
MRFRACBBILXIMQ-JYIZODLMSA-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