General Information of the Compound
| Compound ID |
CP0579377
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| Compound Name |
2-[5-chloro-2-(difluoromethoxy)pyridin-4-yl]-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[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 |
C25H25ClF2N6O2
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| Molecular Weight |
514.964
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| Canonical SMILES |
CC(C(=O)N1CC[C@]2(C1)CCc1cc(c(C)nc1N2)-c1ncccn1)c1cc(OC(F)F)ncc1Cl
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| InChI |
InChI=1S/C25H25ClF2N6O2/c1-14(17-11-20(36-24(27)28)31-12-19(17)26)23(35)34-9-6-25(13-34)5-4-16-10-18(15(2)32-21(16)33-25)22-29-7-3-8-30-22/h3,7-8,10-12,14,24H,4-6,9,13H2,1-2H3,(H,32,33)/t14?,25-/m0/s1
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| InChIKey |
FJJKQCLMJRNCNE-CCKNNCGLSA-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