General Information of the Compound
| Compound ID |
CP0566620
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| Compound Name |
N'-hydroxy-N-[2-[[7-methoxy-4-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]ethyl]heptanediamide
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| Structure |
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| Formula |
C24H37N7O4
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| Molecular Weight |
487.605
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| Canonical SMILES |
COc1ccc2c(NC3CCN(C)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1
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| InChI |
InChI=1S/C24H37N7O4/c1-31-14-10-17(11-15-31)27-23-19-9-8-18(35-2)16-20(19)28-24(29-23)26-13-12-25-21(32)6-4-3-5-7-22(33)30-34/h8-9,16-17,34H,3-7,10-15H2,1-2H3,(H,25,32)(H,30,33)(H2,26,27,28,29)
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| InChIKey |
ZFCAPVLZEHBORT-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