General Information of the Compound
| Compound ID |
CP0875444
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| Compound Name |
(R)-N-((R)-piperidin-3-ylmethyl)-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 |
O=C(NC[C@@H]1CCCNC1)[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/c42-34(25-37(29-14-4-1-5-15-29,30-16-6-2-7-17-30)31-18-8-3-9-19-31)40-23-12-21-33(40)36(44)41-24-11-20-32(41)35(43)39-27-28-13-10-22-38-26-28;3-2(4,5)1(6)7/h1-9,14-19,28,32-33,38H,10-13,20-27H2,(H,39,43);(H,6,7)/t28-,32-,33+;/m1./s1
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| InChIKey |
ZUCVDMXMSJHSSK-ZAYVUINWSA-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