General Information of the Compound
| Compound ID |
CP0856132
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| Compound Name |
(3S)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride
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| Structure |
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| Formula |
C26H34ClN3O2
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| Molecular Weight |
456.03
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O.Cl
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| InChI |
InChI=1S/C26H33N3O2.ClH/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21;/h3-12,20,23H,13-19H2,1-2H3,(H,27,31);1H/t23-;/m0./s1
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| InChIKey |
GDYQIHVIAMOQAD-BQAIUKQQSA-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