General Information of the Compound
| Compound ID |
CP0922634
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| Compound Name |
N-{4-chloro-2-hydroxy-3-[(3R)-3-pyrrolidinylsulfonyl]-phenyl}-N'-(2-(trifluoromethyl)oxy]-phenyl)urea
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| Structure |
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| Formula |
C18H17ClF3N3O5S
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| Molecular Weight |
479.864
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| Canonical SMILES |
O=C(Nc1ccccc1OC(F)(F)F)Nc1ccc(Cl)c(S(=O)(=O)[C@@H]2CCNC2)c1O
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| InChI |
InChI=1S/C18H17ClF3N3O5S/c19-11-5-6-13(15(26)16(11)31(28,29)10-7-8-23-9-10)25-17(27)24-12-3-1-2-4-14(12)30-18(20,21)22/h1-6,10,23,26H,7-9H2,(H2,24,25,27)/t10-/m1/s1
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| InChIKey |
LMEJQAHYEIEWGL-SNVBAGLBSA-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: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2