General Information of the Compound
| Compound ID |
CP0112028
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| Compound Name |
1-(6-methoxypyrimidin-4-yl)-8-[(3-methylpyridin-2-yl)methyl]-3-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C34H32N8O3
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| Molecular Weight |
600.683
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| Canonical SMILES |
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)-c1cc[nH]n1
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| InChI |
InChI=1S/C34H32N8O3/c1-23-4-3-16-35-29(23)21-40-18-14-34(15-19-40)32(43)41(33(44)42(34)30-20-31(45-2)37-22-36-30)27-11-9-25(10-12-27)24-5-7-26(8-6-24)28-13-17-38-39-28/h3-13,16-17,20,22H,14-15,18-19,21H2,1-2H3,(H,38,39)
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| InChIKey |
YRZWSLXIHSDILJ-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