General Information of the Compound
| Compound ID |
CP0455405
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| Compound Name |
N-[2-[[4-[(1-benzylpiperidin-4-yl)amino]-7-methoxyquinazolin-2-yl]amino]ethyl]-N'-hydroxyheptanediamide
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| Structure |
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| Formula |
C30H41N7O4
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| Molecular Weight |
563.703
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| Canonical SMILES |
COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1
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| InChI |
InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35)
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| InChIKey |
AWFJKIGLLSWFNV-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