General Information of the Compound
| Compound ID |
CP0651200
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| Compound Name |
9-(1,4-benzodioxane-6-yl)-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride
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| Structure |
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| Formula |
C25H38ClN3O4
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| Molecular Weight |
480.049
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| Canonical SMILES |
CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2.Cl
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| InChI |
InChI=1S/C25H37N3O4.ClH/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21;/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30);1H
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| InChIKey |
KAFXCXGMNHARKK-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: PT01021, C-C chemokine receptor type 2
Protein ID: PT00903, C-C chemokine receptor type 5
Protein ID: PT02059, C-X-C chemokine receptor type 4