General Information of the Compound
| Compound ID |
CP0138751
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| Compound Name |
2-[4-[1-(6-methoxypyrimidin-4-yl)-8-[(3-methylpyridin-2-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]phenyl]benzoic acid
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| Structure |
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| Formula |
C32H30N6O5
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| Molecular Weight |
578.629
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| Canonical SMILES |
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C32H30N6O5/c1-21-6-5-15-33-26(21)19-36-16-13-32(14-17-36)30(41)37(31(42)38(32)27-18-28(43-2)35-20-34-27)23-11-9-22(10-12-23)24-7-3-4-8-25(24)29(39)40/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3,(H,39,40)
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| InChIKey |
GSKYNYTYBPKISP-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