General Information of the Compound
| Compound ID |
CP0465224
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| Compound Name |
4-{1-[(S)-1-(1-Carboxy-2-cyclopropyl-ethyl)-4-((R)-3-fluoro-phenyl)-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-2-(4-fluoro-phenyl)-butyric acid
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| Structure |
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| Formula |
C32H40F2N2O4
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| Molecular Weight |
554.678
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| Canonical SMILES |
OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(C(O)=O)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C32H40F2N2O4/c33-26-9-7-23(8-10-26)28(31(37)38)11-6-21-12-14-35(15-13-21)18-25-19-36(30(32(39)40)16-22-4-5-22)20-29(25)24-2-1-3-27(34)17-24/h1-3,7-10,17,21-22,25,28-30H,4-6,11-16,18-20H2,(H,37,38)(H,39,40)/t25-,28?,29+,30+/m0/s1
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| InChIKey |
ADFRLQLNMJKEBV-XNUHKXAHSA-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