General Information of the Compound
| Compound ID |
CP0538077
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| Compound Name |
N-[2-[[4-[(1-benzylpiperidin-4-yl)amino]-7-methoxyquinazolin-2-yl]amino]ethyl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C31H43N7O4
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| Molecular Weight |
577.73
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| Canonical SMILES |
COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1
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| InChI |
InChI=1S/C31H43N7O4/c1-42-25-13-14-26-27(21-25)35-31(33-18-17-32-28(39)11-7-2-3-8-12-29(40)37-41)36-30(26)34-24-15-19-38(20-16-24)22-23-9-5-4-6-10-23/h4-6,9-10,13-14,21,24,41H,2-3,7-8,11-12,15-20,22H2,1H3,(H,32,39)(H,37,40)(H2,33,34,35,36)
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| InChIKey |
JIVWNYWADHBBGR-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