General Information of the Compound
| Compound ID |
CP0428080
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| Compound Name |
[(2S)-butan-2-yl] 6-[5-methyl-6-(2-methylpyridin-3-yl)oxypyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
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| Structure |
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| Formula |
C24H31N5O3
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| Molecular Weight |
437.544
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| Canonical SMILES |
CC[C@H](C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C
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| InChI |
InChI=1S/C24H31N5O3/c1-5-14(2)31-24(30)29-19-9-17-10-20(29)12-18(11-19)28(17)22-15(3)23(27-13-26-22)32-21-7-6-8-25-16(21)4/h6-8,13-14,17-20H,5,9-12H2,1-4H3/t14-,17?,18?,19?,20?/m0/s1
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| InChIKey |
CLTOWTVAGYCVSY-WMLOPIRWSA-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