General Information of the Compound
| Compound ID |
CP0112008
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| Compound Name |
8-[(3-methylpyridin-2-yl)methyl]-3-[4-(1,2-oxazol-5-yl)phenyl]-1-(6-oxo-1H-pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C27H25N7O4
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| Molecular Weight |
511.542
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| Canonical SMILES |
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1
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| InChI |
InChI=1S/C27H25N7O4/c1-18-3-2-11-28-21(18)16-32-13-9-27(10-14-32)25(36)33(26(37)34(27)23-15-24(35)30-17-29-23)20-6-4-19(5-7-20)22-8-12-31-38-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,29,30,35)
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| InChIKey |
AYBBBAJBBDEEQL-UHFFFAOYSA-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