General Information of the Compound
| Compound ID |
CP0138766
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| Compound Name |
8-[(3-methylpyridin-2-yl)methyl]-1-(6-oxo-1H-pyrimidin-4-yl)-3-(4-pyrazol-1-ylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C27H26N8O3
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| Molecular Weight |
510.558
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| Canonical SMILES |
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-n1cccn1)c1cc(=O)[nH]cn1
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| InChI |
InChI=1S/C27H26N8O3/c1-19-4-2-11-28-22(19)17-32-14-9-27(10-15-32)25(37)34(26(38)35(27)23-16-24(36)30-18-29-23)21-7-5-20(6-8-21)33-13-3-12-31-33/h2-8,11-13,16,18H,9-10,14-15,17H2,1H3,(H,29,30,36)
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| InChIKey |
LUCCLRBBVBPHOH-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