General Information of the Compound
| Compound ID |
CP0455734
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| Compound Name |
2-[(1R)-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]-N-cyclopropyl-2-methylpropanamide
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| Structure |
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| Formula |
C36H46ClF2N3O2
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| Molecular Weight |
626.232
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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)NC1CC1
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| InChI |
InChI=1S/C36H46ClF2N3O2/c1-21-15-25-28(17-30(21)37)36(18-29(25)35(5,6)33(44)40-23-8-9-23)11-13-41(14-12-36)32(43)27-20-42(34(2,3)4)19-26(27)24-10-7-22(38)16-31(24)39/h7,10,15-17,23,26-27,29H,8-9,11-14,18-20H2,1-6H3,(H,40,44)/t26-,27+,29+/m0/s1
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| InChIKey |
KOFTZFGNGACTCM-YIKNKFAXSA-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