General Information of the Compound
| Compound ID |
CP0482390
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| Compound Name |
N'-[2-[[7-methoxy-4-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]ethyl]-N-methylhexanediamide
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| Structure |
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| Formula |
C24H37N7O3
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| Molecular Weight |
471.606
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| Canonical SMILES |
CNC(=O)CCCCC(=O)NCCNc1nc(NC2CCN(C)CC2)c2ccc(OC)cc2n1
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| InChI |
InChI=1S/C24H37N7O3/c1-25-21(32)6-4-5-7-22(33)26-12-13-27-24-29-20-16-18(34-3)8-9-19(20)23(30-24)28-17-10-14-31(2)15-11-17/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,25,32)(H,26,33)(H2,27,28,29,30)
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| InChIKey |
XANBUADQYQDRPG-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