General Information of the Compound
| Compound ID |
CP0649585
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| Compound Name |
1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride
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| Structure |
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| Formula |
C28H46ClN3O2
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| Molecular Weight |
492.148
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| Canonical SMILES |
CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2.Cl
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| InChI |
InChI=1S/C28H45N3O2.ClH/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24;/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33);1H
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| InChIKey |
HUECWOAULRMBJK-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