General Information of the Compound
| Compound ID |
CP0432391
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| Compound Name |
3-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)benzoic acid
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| Structure |
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| Formula |
C33H46N2O3
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| Molecular Weight |
518.742
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| Canonical SMILES |
OC(=O)c1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C33H46N2O3/c36-32(37)29-15-7-11-26(21-29)12-8-16-33(38)17-19-34(20-18-33)23-30-24-35(22-27-9-3-1-4-10-27)25-31(30)28-13-5-2-6-14-28/h2,5-7,11,13-15,21,27,30-31,38H,1,3-4,8-10,12,16-20,22-25H2,(H,36,37)/t30-,31+/m0/s1
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| InChIKey |
PECQGQFPDDXSPX-IOWSJCHKSA-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