General Information of the Compound
| Compound ID |
CP0436625
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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]-1-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropan-1-one
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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 |
CO[C@@H]1CCN(C1)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12
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| InChI |
InChI=1S/C38H50ClF2N3O3/c1-23-16-27-30(18-32(23)39)38(19-31(27)37(5,6)35(46)43-13-10-25(20-43)47-7)11-14-42(15-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-9-8-24(40)17-33(26)41/h8-9,16-18,25,28-29,31H,10-15,19-22H2,1-7H3/t25-,28+,29-,31+/m1/s1
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| InChIKey |
LVSUWBVBTMLPPY-KZMPOHPLSA-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