General Information of the Compound
| Compound ID |
CP0920836
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| Compound Name |
N-{4-chloro-2-hydroxy-3-[(3R)-3-pyrrolidinylsulfonyl]-phenyl}-N'-(2,2-difluoro-1,3-benzodioxol-4-yl)urea
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| Structure |
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| Formula |
C18H16ClF2N3O6S
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| Molecular Weight |
475.857
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| Canonical SMILES |
O=C(Nc1ccc(Cl)c(S(=O)(=O)[C@@H]2CCNC2)c1O)Nc1cccc2c1OC(F)(F)O2
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| InChI |
InChI=1S/C18H16ClF2N3O6S/c19-10-4-5-11(14(25)16(10)31(27,28)9-6-7-22-8-9)23-17(26)24-12-2-1-3-13-15(12)30-18(20,21)29-13/h1-5,9,22,25H,6-8H2,(H2,23,24,26)/t9-/m1/s1
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| InChIKey |
APBXDCDLFXRMCV-SECBINFHSA-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