General Information of the Compound
| Compound ID |
CP0425031
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| Compound Name |
2-[(1R)-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]-N-ethyl-2-methylpropanamide
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| Structure |
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| Formula |
C35H46ClF2N3O2
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| Molecular Weight |
614.221
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| Canonical SMILES |
CCNC(=O)C(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12
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| InChI |
InChI=1S/C35H46ClF2N3O2/c1-8-39-32(43)34(6,7)28-18-35(27-17-29(36)21(2)15-24(27)28)11-13-40(14-12-35)31(42)26-20-41(33(3,4)5)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,8,11-14,18-20H2,1-7H3,(H,39,43)/t25-,26+,28+/m0/s1
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| InChIKey |
JKQLGKAFSYTJQH-ZRRKCSAHSA-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