General Information of the Compound
| Compound ID |
CP0576660
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| Compound Name |
(2R)-2-(5-chloro-2-methoxypyridin-4-yl)-1-[(2S)-6-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
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| Formula |
C25H28ClF2N7O2
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| Molecular Weight |
531.995
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| Canonical SMILES |
COc1cc([C@@H](C)C(=O)N2CC[C@]3(C2)CCc2cc(-c4nc(C(F)F)n(C)n4)c(C)nc2N3)c(Cl)cn1
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| InChI |
InChI=1S/C25H28ClF2N7O2/c1-13(16-10-19(37-4)29-11-18(16)26)24(36)35-8-7-25(12-35)6-5-15-9-17(14(2)30-21(15)32-25)22-31-23(20(27)28)34(3)33-22/h9-11,13,20H,5-8,12H2,1-4H3,(H,30,32)/t13-,25+/m1/s1
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| InChIKey |
SJZUGUSUFWZXCJ-SHZVTRLKSA-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