General Information of the Compound
| Compound ID |
CP0502497
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| Compound Name |
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
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| Structure |
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| Formula |
C31H40FN5O2
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| Molecular Weight |
533.692
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| Canonical SMILES |
Cc1cc(C)n2ncc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](CC4CCC4)C(O)=O)CC3)c2n1
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| InChI |
InChI=1S/C31H40FN5O2/c1-20-13-21(2)37-30(34-20)27(16-33-37)23-9-11-35(12-10-23)17-25-18-36(29(31(38)39)14-22-5-3-6-22)19-28(25)24-7-4-8-26(32)15-24/h4,7-8,13,15-16,22-23,25,28-29H,3,5-6,9-12,14,17-19H2,1-2H3,(H,38,39)/t25-,28+,29+/m0/s1
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| InChIKey |
DGTIAKQTRLSQQA-RFYMFKDESA-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