General Information of the Compound
| Compound ID |
CP0408840
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| Compound Name |
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-[5-(piperidin-1-ylmethyl)pyridin-2-yl]butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
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| Structure |
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| Formula |
C36H43N7O2
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| Molecular Weight |
605.787
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc(CN3CCCCC3)cn2)cc2cn[nH]c12
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| InChI |
InChI=1S/C36H43N7O2/c1-25-17-27(19-30-22-38-40-35(25)30)18-29(32-10-9-26(21-37-32)23-41-13-5-2-6-14-41)20-34(44)42-15-11-31(12-16-42)43-24-28-7-3-4-8-33(28)39-36(43)45/h3-4,7-10,17,19,21-22,29,31H,2,5-6,11-16,18,20,23-24H2,1H3,(H,38,40)(H,39,45)
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| InChIKey |
VCAWQPVISZKOIS-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