General Information of the Compound
| Compound ID |
CP0493156
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| Compound Name |
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]methanesulfonamide
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| Structure |
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| Formula |
C19H29N5O2S
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| Molecular Weight |
391.541
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| Canonical SMILES |
CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12
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| InChI |
InChI=1S/C19H29N5O2S/c1-24(2)18-16-6-4-5-7-17(16)22-19(23-18)20-12-14-8-10-15(11-9-14)13-21-27(3,25)26/h4-7,14-15,21H,8-13H2,1-3H3,(H,20,22,23)
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| InChIKey |
XPKLCTLEXRSJEM-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
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01795, Neuropeptide Y receptor type 5