General Information of the Compound
| Compound ID |
CP0485449
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| Compound Name |
(R)-{(3S,4S)-3-[4-(2-Benzoimidazol-1-yl-ethyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid
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| Structure |
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| Formula |
C33H44N4O2
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| Molecular Weight |
528.741
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| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCn3cnc4ccccc34)CC2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C33H44N4O2/c38-33(39)32(27-11-5-2-6-12-27)37-22-28(29(23-37)26-9-3-1-4-10-26)21-35-18-15-25(16-19-35)17-20-36-24-34-30-13-7-8-14-31(30)36/h1,3-4,7-10,13-14,24-25,27-29,32H,2,5-6,11-12,15-23H2,(H,38,39)/t28-,29+,32+/m0/s1
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| InChIKey |
YMRAFUPPFPFNJB-NPLMNSEMSA-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