General Information of the Compound
| Compound ID |
CP0458787
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| Compound Name |
2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one
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| Structure |
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| Formula |
C37H48ClF2N3O2
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| Molecular Weight |
640.259
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| Canonical SMILES |
Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCCC1
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| InChI |
InChI=1S/C37H48ClF2N3O2/c1-23-17-26-29(19-31(23)38)37(20-30(26)36(5,6)34(45)42-13-7-8-14-42)11-15-41(16-12-37)33(44)28-22-43(35(2,3)4)21-27(28)25-10-9-24(39)18-32(25)40/h9-10,17-19,27-28,30H,7-8,11-16,20-22H2,1-6H3/t27-,28+,30-/m0/s1
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| InChIKey |
PFJSCXYDDKLLFK-LXQNXJGFSA-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