General Information of the Compound
| Compound ID |
CP0501239
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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]-N-(2-hydroxyethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C35H46ClF2N3O3
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| Molecular Weight |
630.22
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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)NCCO
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| InChI |
InChI=1S/C35H46ClF2N3O3/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(44)39-11-14-42)9-12-40(13-10-35)31(43)26-20-41(33(2,3)4)19-25(26)23-8-7-22(37)16-30(23)38/h7-8,15-17,25-26,28,42H,9-14,18-20H2,1-6H3,(H,39,44)/t25-,26+,28-/m0/s1
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| InChIKey |
RXPUDPFPHRKTPJ-REUBFRLUSA-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