General Information of the Compound
| Compound ID |
CP0499052
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| Compound Name |
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione
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| Structure |
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| Formula |
C33H40N6O5
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| Molecular Weight |
600.72
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC3(CC2)OCCO3)cc2cn[nH]c12
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| InChI |
InChI=1S/C33H40N6O5/c1-22-16-23(18-26-20-34-36-30(22)26)17-25(31(41)38-12-8-33(9-13-38)43-14-15-44-33)19-29(40)37-10-6-27(7-11-37)39-21-24-4-2-3-5-28(24)35-32(39)42/h2-5,16,18,20,25,27H,6-15,17,19,21H2,1H3,(H,34,36)(H,35,42)
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| InChIKey |
SOQUHMYZFBIDNN-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