General Information of the Compound
| Compound ID |
CP0862454
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| Compound Name |
N-{4-chloro-2-hydroxy-3-[(3S)-3-pyrrolidinylsulfonyl]-phenyl}-N'-(3-fluoro-2-methylphenyl)urea
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| Structure |
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| Formula |
C18H19ClFN3O4S
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| Molecular Weight |
427.885
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| Canonical SMILES |
Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCNC2)c1O
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| InChI |
InChI=1S/C18H19ClFN3O4S/c1-10-13(20)3-2-4-14(10)22-18(25)23-15-6-5-12(19)17(16(15)24)28(26,27)11-7-8-21-9-11/h2-6,11,21,24H,7-9H2,1H3,(H2,22,23,25)/t11-/m0/s1
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| InChIKey |
FCPRZCUSHXUJGN-NSHDSACASA-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