General Information of the Compound
| Compound ID |
CP0112034
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| Compound Name |
3-methyl-4-[5-[8-[(3-methylpyridin-2-yl)methyl]-2,4-dioxo-1-pyrimidin-4-yl-1,3,8-triazaspiro[4.5]decan-3-yl]pyridin-2-yl]benzoic acid
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| Structure |
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| Formula |
C31H29N7O4
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| Molecular Weight |
563.618
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| Canonical SMILES |
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
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| InChI |
InChI=1S/C31H29N7O4/c1-20-4-3-12-33-26(20)18-36-14-10-31(11-15-36)29(41)37(30(42)38(31)27-9-13-32-19-35-27)23-6-8-25(34-17-23)24-7-5-22(28(39)40)16-21(24)2/h3-9,12-13,16-17,19H,10-11,14-15,18H2,1-2H3,(H,39,40)
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| InChIKey |
YODHJWDWGCFTKW-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