General Information of the Compound
| Compound ID |
CP0854845
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| Compound Name |
(R)-N-(2-(piperidin-4-yl)ethyl)-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 |
C40H47F3N4O5
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| Molecular Weight |
720.833
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| Canonical SMILES |
O=C(NCCC1CCNCC1)[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/C38H46N4O3.C2HF3O2/c43-35(28-38(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32)41-26-11-19-34(41)37(45)42-27-10-18-33(42)36(44)40-25-22-29-20-23-39-24-21-29;3-2(4,5)1(6)7/h1-9,12-17,29,33-34,39H,10-11,18-28H2,(H,40,44);(H,6,7)/t33-,34+;/m1./s1
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| InChIKey |
JIXRWGPDSPEFRX-VBAOBBRWSA-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