General Information of the Compound
| Compound ID |
CP0845758
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| Compound Name |
(R)-N-(piperidin-4-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(NCC1CCNCC1)[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(26-37(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31)40-24-11-19-33(40)36(44)41-25-10-18-32(41)35(43)39-27-28-20-22-38-23-21-28;3-2(4,5)1(6)7/h1-9,12-17,28,32-33,38H,10-11,18-27H2,(H,39,43);(H,6,7)/t32-,33+;/m1./s1
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| InChIKey |
PVKKHILMTNMADV-VMXYRSAXSA-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