General Information of the Compound
| Compound ID |
CP0387905
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| Compound Name |
(R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-cyclopropylpropanoic acid
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| Structure |
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| Formula |
C34H43FN4O2
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| Molecular Weight |
558.742
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| Canonical SMILES |
CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1
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| InChI |
InChI=1S/C34H43FN4O2/c1-2-39-32(20-30(36-39)17-24-7-4-3-5-8-24)26-13-15-37(16-14-26)21-28-22-38(33(34(40)41)18-25-11-12-25)23-31(28)27-9-6-10-29(35)19-27/h3-10,19-20,25-26,28,31,33H,2,11-18,21-23H2,1H3,(H,40,41)/t28-,31+,33+/m0/s1
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| InChIKey |
WYEUTPJDGLHBSW-HTGHOQDLSA-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