General Information of the Compound
| Compound ID |
CP0324242
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| Compound Name |
(3-{4-[5-(4-Cyano-phenyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-acetic acid
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| Structure |
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| Formula |
C36H45N5O2
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| Molecular Weight |
579.789
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| Canonical SMILES |
CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C36H45N5O2/c1-2-41-34(21-33(38-41)28-15-13-26(22-37)14-16-28)29-17-19-39(20-18-29)23-31-24-40(25-32(31)27-9-5-3-6-10-27)35(36(42)43)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21,29-32,35H,2,4,7-8,11-12,17-20,23-25H2,1H3,(H,42,43)/t31-,32+,35+/m0/s1
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| InChIKey |
KNIXPLDGCHJLNU-GTXBZULCSA-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