General Information of the Compound
| Compound ID |
CP0439883
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| Compound Name |
(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,5-a]pyridin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid
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| Structure |
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| Formula |
C30H37FN4O2
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| Molecular Weight |
504.65
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| Canonical SMILES |
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2ncc3ccccn23)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C30H37FN4O2/c31-25-8-4-7-23(16-25)27-20-34(28(30(36)37)15-21-5-3-6-21)19-24(27)18-33-13-10-22(11-14-33)29-32-17-26-9-1-2-12-35(26)29/h1-2,4,7-9,12,16-17,21-22,24,27-28H,3,5-6,10-11,13-15,18-20H2,(H,36,37)/t24-,27+,28+/m0/s1
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| InChIKey |
JURAKFHVLFDHDI-HNPKZYAISA-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