General Information of the Compound
| Compound ID |
CP0495681
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| Compound Name |
(R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-5-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid
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| Structure |
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| Formula |
C30H42FN5O2
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| Molecular Weight |
523.697
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| Canonical SMILES |
CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1cncnc1
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| InChI |
InChI=1S/C30H42FN5O2/c1-2-11-36(27-16-32-21-33-17-27)26-9-12-34(13-10-26)18-24-19-35(29(30(37)38)14-22-5-3-6-22)20-28(24)23-7-4-8-25(31)15-23/h4,7-8,15-17,21-22,24,26,28-29H,2-3,5-6,9-14,18-20H2,1H3,(H,37,38)/t24-,28+,29+/m0/s1
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| InChIKey |
XIUXJGLXQIZUKO-TUMTZTIRSA-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