General Information of the Compound
| Compound ID |
CP0519810
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| Compound Name |
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-indazol-5-ylmethyl)-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 |
C32H38N6O5
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| Molecular Weight |
586.693
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| Canonical SMILES |
O=C(CC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC2(CC1)OCCO2)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C32H38N6O5/c39-29(36-11-7-26(8-12-36)38-21-23-3-1-2-4-27(23)34-31(38)41)19-24(17-22-5-6-28-25(18-22)20-33-35-28)30(40)37-13-9-32(10-14-37)42-15-16-43-32/h1-6,18,20,24,26H,7-17,19,21H2,(H,33,35)(H,34,41)
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| InChIKey |
KIQBAKVXBSIOOL-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