General Information of the Compound
| Compound ID |
CP0495778
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| Compound Name |
N-[8-[(4-aminoquinazolin-2-yl)amino]octyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C26H31N5O2S
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| Molecular Weight |
477.634
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| Canonical SMILES |
Nc1nc(NCCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
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| InChI |
InChI=1S/C26H31N5O2S/c27-25-22-15-7-8-16-23(22)30-26(31-25)28-18-9-3-1-2-4-10-19-29-34(32,33)24-17-11-13-20-12-5-6-14-21(20)24/h5-8,11-17,29H,1-4,9-10,18-19H2,(H3,27,28,30,31)
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| InChIKey |
SHFJSPQAKXBQMD-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