General Information of the Compound
| Compound ID |
CP0415990
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| Compound Name |
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
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| Structure |
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| Formula |
C35H46FN5O2
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| Molecular Weight |
587.784
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| Canonical SMILES |
CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1
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| InChI |
InChI=1S/C35H46FN5O2/c1-2-41-33(20-31(38-41)18-25-8-7-15-37-21-25)26-13-16-39(17-14-26)22-29-23-40(24-32(29)28-11-6-12-30(36)19-28)34(35(42)43)27-9-4-3-5-10-27/h6-8,11-12,15,19-21,26-27,29,32,34H,2-5,9-10,13-14,16-18,22-24H2,1H3,(H,42,43)/t29-,32+,34+/m0/s1
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| InChIKey |
JGAITRDERWCFBO-ABAVYFCKSA-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