General Information of the Compound
| Compound ID |
CP0495894
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| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(4-hydroxy-butyl)-urea
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| Structure |
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| Formula |
C33H42ClN3O3
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| Molecular Weight |
564.17
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| Canonical SMILES |
OCCCCNC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H42ClN3O3/c34-30-16-14-29(15-17-30)33(40)19-23-37(24-20-33)22-9-18-32(27-10-3-1-4-11-27,28-12-5-2-6-13-28)26-36-31(39)35-21-7-8-25-38/h1-6,10-17,38,40H,7-9,18-26H2,(H2,35,36,39)
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| InChIKey |
XKODNICTPMTYQO-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT01215, C-C chemokine receptor type 3