General Information of the Compound
| Compound ID |
CP0574482
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| Compound Name |
2-[6-(difluoromethoxy)pyridin-3-yl]-1-[(2S)-7-methyl-6-(1-methylpyrazol-4-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
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| Structure |
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| Formula |
C25H28F2N6O2
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| Molecular Weight |
482.535
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| Canonical SMILES |
CC(C(=O)N1CC[C@]2(C1)CCc1cc(-c3cnn(C)c3)c(C)nc1N2)c1ccc(OC(F)F)nc1
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| InChI |
InChI=1S/C25H28F2N6O2/c1-15(18-4-5-21(28-11-18)35-24(26)27)23(34)33-9-8-25(14-33)7-6-17-10-20(16(2)30-22(17)31-25)19-12-29-32(3)13-19/h4-5,10-13,15,24H,6-9,14H2,1-3H3,(H,30,31)/t15?,25-/m0/s1
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| InChIKey |
HQAPHLJHDKXIMR-RZNFBWOTSA-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