General Information of the Compound
| Compound ID |
CP0878092
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| Compound Name |
(3S)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride
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| Structure |
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| Formula |
C27H44ClN3O2
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| Molecular Weight |
478.121
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| Canonical SMILES |
CCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2.Cl
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| InChI |
InChI=1S/C27H43N3O2.ClH/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23;/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32);1H/t24-;/m0./s1
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| InChIKey |
MQLPJHNIFFGCRL-JIDHJSLPSA-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