General Information of the Compound
| Compound ID |
CP0942094
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| Compound Name |
(R)-N-((1S,2S)-2-aminocyclohexyl)-1-((S)-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide trifluoroacetic acid
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| Structure |
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| Formula |
C39H45F3N4O5
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| Molecular Weight |
706.806
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| Canonical SMILES |
N[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C37H44N4O3.C2HF3O2/c38-30-20-10-11-21-31(30)39-35(43)32-22-12-25-41(32)36(44)33-23-13-24-40(33)34(42)26-37(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29;3-2(4,5)1(6)7/h1-9,14-19,30-33H,10-13,20-26,38H2,(H,39,43);(H,6,7)/t30-,31-,32+,33-;/m0./s1
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| InChIKey |
COMTUMBLKXMVJR-JGEPAZAQSA-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