General Information of the Compound
| Compound ID |
CP0453782
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| Compound Name |
N-[2-[(1R)-5-chloro-1'-[(3S,4R)-4-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine-3-carbonyl]-6-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]propan-2-yl]acetamide
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| Structure |
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| Formula |
C34H42ClF2N3O4
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| Molecular Weight |
630.176
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| Canonical SMILES |
CC(=O)NC(C)(C)[C@@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(Cl)c(C)cc12
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| InChI |
InChI=1S/C34H42ClF2N3O4/c1-20-15-25-28(17-29(20)35)34(44-31(25)33(3,4)38-21(2)41)9-11-39(12-10-34)32(42)27-19-40(23-7-13-43-14-8-23)18-26(27)24-6-5-22(36)16-30(24)37/h5-6,15-17,23,26-27,31H,7-14,18-19H2,1-4H3,(H,38,41)/t26-,27+,31+/m0/s1
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| InChIKey |
YYCCWOBZNRVRNZ-SWFBWHSRSA-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