General Information of the Compound
| Compound ID |
CP0493276
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| Compound Name |
(R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(6-phenyl-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid
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| Structure |
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| Formula |
C36H41FN4O2
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| Molecular Weight |
580.748
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| Canonical SMILES |
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccc(cn23)-c2ccccc2)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C36H41FN4O2/c37-31-11-5-10-28(19-31)32-24-40(33(36(42)43)18-25-6-4-7-25)22-30(32)21-39-16-14-27(15-17-39)34-20-38-35-13-12-29(23-41(34)35)26-8-2-1-3-9-26/h1-3,5,8-13,19-20,23,25,27,30,32-33H,4,6-7,14-18,21-22,24H2,(H,42,43)/t30-,32+,33+/m0/s1
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| InChIKey |
NOMDKPQZZPKQLJ-FCIJAXDVSA-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