General Information of the Compound
| Compound ID |
CP0493928
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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]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
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| Structure |
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| Formula |
C35H43ClF5N3O2
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| Molecular Weight |
668.191
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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)NCC(F)(F)F
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| InChI |
InChI=1S/C35H43ClF5N3O2/c1-20-13-23-26(15-28(20)36)34(16-27(23)33(5,6)31(46)42-19-35(39,40)41)9-11-43(12-10-34)30(45)25-18-44(32(2,3)4)17-24(25)22-8-7-21(37)14-29(22)38/h7-8,13-15,24-25,27H,9-12,16-19H2,1-6H3,(H,42,46)/t24-,25+,27+/m0/s1
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| InChIKey |
CFTPYNUSGDCEFZ-ZWEKWIFMSA-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