General Information of the Compound
| Compound ID |
CP0492535
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| Compound Name |
N-[[3-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C26H29N5O2S
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| Molecular Weight |
475.618
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| Canonical SMILES |
Nc1nc(NCC2CCCC(CNS(=O)(=O)c3cccc4ccccc34)C2)nc2ccccc12
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| InChI |
InChI=1S/C26H29N5O2S/c27-25-22-12-3-4-13-23(22)30-26(31-25)28-16-18-7-5-8-19(15-18)17-29-34(32,33)24-14-6-10-20-9-1-2-11-21(20)24/h1-4,6,9-14,18-19,29H,5,7-8,15-17H2,(H3,27,28,30,31)
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| InChIKey |
QJUVXCBSHSNNFD-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