General Information of the Compound
| Compound ID |
CP0502495
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| Compound Name |
(R)-Cyclohexyl-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid
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| Structure |
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| Formula |
C31H44FN5O2
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| Molecular Weight |
537.724
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| Canonical SMILES |
CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1
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| InChI |
InChI=1S/C31H44FN5O2/c1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23/h6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39)/t25-,28+,29+/m0/s1
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| InChIKey |
FEKRAPQYYVJDCN-RFYMFKDESA-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