General Information of the Compound
| Compound ID |
CP0042193
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| Compound Name |
(S)-2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic 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)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C33H46N2O3/c36-32(37)31(28-16-8-3-9-17-28)35-24-29(30(25-35)27-14-6-2-7-15-27)23-34-21-19-33(38,20-22-34)18-10-13-26-11-4-1-5-12-26/h1-2,4-7,11-12,14-15,28-31,38H,3,8-10,13,16-25H2,(H,36,37)/t29-,30+,31-/m0/s1
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| InChIKey |
WUHUVZJYMLYIBB-YPKYBTACSA-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