General Information of the Compound
| Compound ID |
CP0458786
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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-propan-2-ylpropanamide
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| Structure |
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| Formula |
C36H48ClF2N3O2
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| Molecular Weight |
628.248
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| Canonical SMILES |
CC(C)NC(=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/C36H48ClF2N3O2/c1-21(2)40-33(44)35(7,8)29-18-36(28-17-30(37)22(3)15-25(28)29)11-13-41(14-12-36)32(43)27-20-42(34(4,5)6)19-26(27)24-10-9-23(38)16-31(24)39/h9-10,15-17,21,26-27,29H,11-14,18-20H2,1-8H3,(H,40,44)/t26-,27+,29-/m0/s1
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| InChIKey |
CMEPDLTWIKLVDG-GKRYNVPLSA-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