General Information of the Compound
| Compound ID |
CP0395136
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| Compound Name |
(R)-{(3S,4S)-3-[4-(3-Benzoimidazol-1-yl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid
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| Structure |
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| Formula |
C34H46N4O2
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| Molecular Weight |
542.768
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| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCn3cnc4ccccc34)CC2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C34H46N4O2/c39-34(40)33(28-13-5-2-6-14-28)38-23-29(30(24-38)27-11-3-1-4-12-27)22-36-20-17-26(18-21-36)10-9-19-37-25-35-31-15-7-8-16-32(31)37/h1,3-4,7-8,11-12,15-16,25-26,28-30,33H,2,5-6,9-10,13-14,17-24H2,(H,39,40)/t29-,30+,33+/m0/s1
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| InChIKey |
OJLKWDKIHVBWDG-AARCXHMLSA-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