General Information of the Compound
| Compound ID |
CP0414426
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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-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)butane-1,4-dione
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| Structure |
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| Formula |
C32H37N5O6
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| Molecular Weight |
587.677
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc32)C(=O)N2CCC3(CC2)OCCO3)cc2cn[nH]c12
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| InChI |
InChI=1S/C32H37N5O6/c1-21-16-22(18-24-20-33-35-28(21)24)17-23(29(39)37-12-8-32(9-13-37)41-14-15-42-32)19-27(38)36-10-6-31(7-11-36)25-4-2-3-5-26(25)34-30(40)43-31/h2-5,16,18,20,23H,6-15,17,19H2,1H3,(H,33,35)(H,34,40)
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| InChIKey |
MAQJAQXVASMLEV-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