General Information of the Compound
| Compound ID |
CP0430769
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| Compound Name |
2-[(7-methyl-1H-indazol-5-yl)methyl]-4-(2-oxospiro[1,3-dihydroquinazoline-4,4'-piperidine]-1'-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
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| Structure |
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| Formula |
C35H45N7O3
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| Molecular Weight |
611.791
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc32)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C35H45N7O3/c1-24-19-25(21-27-23-36-39-32(24)27)20-26(33(44)42-15-9-28(10-16-42)40-13-5-2-6-14-40)22-31(43)41-17-11-35(12-18-41)29-7-3-4-8-30(29)37-34(45)38-35/h3-4,7-8,19,21,23,26,28H,2,5-6,9-18,20,22H2,1H3,(H,36,39)(H2,37,38,45)
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| InChIKey |
VNEIOMNDWZJGGI-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