General Information of the Compound
| Compound ID |
CP0073217
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| Compound Name |
6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
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| Structure |
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| Formula |
C26H38ClN5O4S
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| Molecular Weight |
552.141
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| Canonical SMILES |
COCCONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C
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| InChI |
InChI=1S/C26H38ClN5O4S/c1-18-15-23(27)29-20(3)24(18)25(33)28-9-5-19(2)31-10-6-22(7-11-31)32(16-21-8-14-37-17-21)26(34)30-36-13-12-35-4/h8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,30,34)/t19-/m1/s1
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| InChIKey |
JEEQEUWCFNPVRU-LJQANCHMSA-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: PT00903, C-C chemokine receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2