General Information of the Compound
| Compound ID |
CP0474889
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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-N-(oxan-4-yl)propanamide
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| Structure |
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| Formula |
C38H50ClF2N3O3
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| Molecular Weight |
670.285
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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)NC1CCOCC1
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| InChI |
InChI=1S/C38H50ClF2N3O3/c1-23-17-27-30(19-32(23)39)38(20-31(27)37(5,6)35(46)42-25-9-15-47-16-10-25)11-13-43(14-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-8-7-24(40)18-33(26)41/h7-8,17-19,25,28-29,31H,9-16,20-22H2,1-6H3,(H,42,46)/t28-,29+,31-/m0/s1
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| InChIKey |
OSPNJAOCAWIDDT-FLBADVGZSA-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