General Information of the Compound
| Compound ID |
CP0406280
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| Compound Name |
(R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(ethyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid
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| Structure |
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| Formula |
C29H40FN5O2
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| Molecular Weight |
509.67
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| Canonical SMILES |
CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1
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| InChI |
InChI=1S/C29H40FN5O2/c1-2-35(29-31-12-5-13-32-29)25-10-14-33(15-11-25)18-23-19-34(27(28(36)37)16-21-6-3-7-21)20-26(23)22-8-4-9-24(30)17-22/h4-5,8-9,12-13,17,21,23,25-27H,2-3,6-7,10-11,14-16,18-20H2,1H3,(H,36,37)/t23-,26+,27+/m0/s1
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| InChIKey |
LUPZAUDHSLGRIO-HUROMRQRSA-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