General Information of the Compound
| Compound ID |
CP0373702
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| Compound Name |
3-Cyclopropyl-2-[(3S,4S)-3-((R)-3-fluoro-phenyl)-4-(4-{2-[2-(4-fluoro-phenyl)-[1,3]dioxolan-2-yl]-ethyl}-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-propionic acid
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| Structure |
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| Formula |
C33H42F2N2O4
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| Molecular Weight |
568.705
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| Canonical SMILES |
OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC3(OCCO3)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C33H42F2N2O4/c34-28-8-6-27(7-9-28)33(40-16-17-41-33)13-10-23-11-14-36(15-12-23)20-26-21-37(31(32(38)39)18-24-4-5-24)22-30(26)25-2-1-3-29(35)19-25/h1-3,6-9,19,23-24,26,30-31H,4-5,10-18,20-22H2,(H,38,39)/t26-,30+,31+/m0/s1
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| InChIKey |
VEKWSXMVPJSWQF-MAJWKWKESA-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