General Information of the Compound
| Compound ID |
CP0403892
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| Compound Name |
(R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid
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| Structure |
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| Formula |
C31H45N5O2
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| Molecular Weight |
519.734
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| Canonical SMILES |
CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1
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| InChI |
InChI=1S/C31H45N5O2/c1-2-18-36(31-32-16-9-17-33-31)27-14-19-34(20-15-27)21-26-22-35(23-28(26)24-10-5-3-6-11-24)29(30(37)38)25-12-7-4-8-13-25/h3,5-6,9-11,16-17,25-29H,2,4,7-8,12-15,18-23H2,1H3,(H,37,38)/t26-,28+,29+/m0/s1
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| InChIKey |
PBQIQXDKWBWMSH-WIIGKZCBSA-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