General Information of the Compound
| Compound ID |
CP0471478
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| Compound Name |
N-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-3,3-dimethylbutyl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C30H48F2N4O2
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| Molecular Weight |
534.736
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| Canonical SMILES |
CC(C)N(CC(N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)C(C)(C)C)C(C)=O
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| InChI |
InChI=1S/C30H48F2N4O2/c1-20(2)36(21(3)37)19-27(29(4,5)6)33-12-14-34(15-13-33)28(38)25-18-35(30(7,8)9)17-24(25)23-11-10-22(31)16-26(23)32/h10-11,16,20,24-25,27H,12-15,17-19H2,1-9H3/t24-,25+,27?/m0/s1
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| InChIKey |
QRNOQQMCKHDTEF-QDSWCARHSA-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