General Information of the Compound
| Compound ID |
CP0514360
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| Compound Name |
N-[(1R,2S)-2-[(4-aminoquinazolin-2-yl)amino]cyclohexyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C24H25N5O2S
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| Molecular Weight |
447.564
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| Canonical SMILES |
Nc1nc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
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| InChI |
InChI=1S/C24H25N5O2S/c25-23-18-11-3-4-12-19(18)26-24(28-23)27-20-13-5-6-14-21(20)29-32(30,31)22-15-7-9-16-8-1-2-10-17(16)22/h1-4,7-12,15,20-21,29H,5-6,13-14H2,(H3,25,26,27,28)/t20-,21+/m0/s1
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| InChIKey |
BZOQBKLUIVOIDA-LEWJYISDSA-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