General Information of the Compound
| Compound ID |
CP0466919
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| Compound Name |
Butane-1-sulfonic acid {4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-amide
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| Structure |
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| Formula |
C22H35N5O2S
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| Molecular Weight |
433.622
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| Canonical SMILES |
CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1
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| InChI |
InChI=1S/C22H35N5O2S/c1-4-5-14-30(28,29)24-16-18-12-10-17(11-13-18)15-23-22-25-20-9-7-6-8-19(20)21(26-22)27(2)3/h6-9,17-18,24H,4-5,10-16H2,1-3H3,(H,23,25,26)
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| InChIKey |
RCMYMJSBSVKJNP-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