General Information of the Compound
| Compound ID |
CP0508622
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| Compound Name |
N-tert-butyl-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-methylpropanamide
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| Structure |
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| Formula |
C37H50ClF2N3O2
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| Molecular Weight |
642.275
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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)NC(C)(C)C
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| InChI |
InChI=1S/C37H50ClF2N3O2/c1-22-16-25-28(18-30(22)38)37(19-29(25)36(8,9)33(45)41-34(2,3)4)12-14-42(15-13-37)32(44)27-21-43(35(5,6)7)20-26(27)24-11-10-23(39)17-31(24)40/h10-11,16-18,26-27,29H,12-15,19-21H2,1-9H3,(H,41,45)/t26-,27+,29-/m0/s1
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| InChIKey |
HLIQIXKHPVIBEA-GKRYNVPLSA-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