General Information of the Compound
| Compound ID |
CP0549659
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| Compound Name |
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-indazol-5-ylmethyl)-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 |
C31H35N5O6
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| Molecular Weight |
573.65
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| Canonical SMILES |
O=C(CC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC2(CC1)OCCO2)N1CCC2(CC1)OC(=O)Nc1ccccc21
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| InChI |
InChI=1S/C31H35N5O6/c37-27(35-11-7-30(8-12-35)24-3-1-2-4-26(24)33-29(39)42-30)19-22(17-21-5-6-25-23(18-21)20-32-34-25)28(38)36-13-9-31(10-14-36)40-15-16-41-31/h1-6,18,20,22H,7-17,19H2,(H,32,34)(H,33,39)
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| InChIKey |
KGYKKGCCBVALFG-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