General Information of the Compound
| Compound ID |
CP0429903
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| Compound Name |
(6R,7S,7aR)-1-((1H-pyrazol-5-yl)methylamino)-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)tetrahydro-1H-pyrrolizin-3(2H)-one
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| Structure |
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| Formula |
C27H25F7N4O2
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| Molecular Weight |
570.509
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2[C@@H](C(CC2=O)NCc2ccn[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H25F7N4O2/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)40-22-13-38-23(39)11-21(35-12-20-6-7-36-37-20)25(38)24(22)15-2-4-19(28)5-3-15/h2-10,14,21-22,24-25,35H,11-13H2,1H3,(H,36,37)/t14-,21?,22+,24-,25+/m1/s1
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| InChIKey |
FZWPLYNQCHPQID-XEJADHSNSA-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