General Information of the Compound
| Compound ID |
CP0399767
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| Compound Name |
(2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-hydroxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid
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| Structure |
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| Formula |
C34H45FN4O3
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| Molecular Weight |
576.757
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| Canonical SMILES |
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(O)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C34H45FN4O3/c1-4-23(3)33(34(41)42)38-21-27(31(22-38)26-7-6-8-28(35)18-26)20-37-15-13-25(14-16-37)32-19-29(36-39(32)5-2)17-24-9-11-30(40)12-10-24/h6-12,18-19,23,25,27,31,33,40H,4-5,13-17,20-22H2,1-3H3,(H,41,42)/t23-,27-,31+,33+/m0/s1
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| InChIKey |
AYQPUUZHDGKDRB-MQMFKJKRSA-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