General Information of the Compound
| Compound ID |
CP0903458
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| Compound Name |
N-{4-chloro-2-hydroxy-3-[(3S)-3-pyrrolidinylsulfonyl]-phenyl}-N'-(2-chloro-3-pyridinyl)urea
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| Structure |
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| Formula |
C16H16Cl2N4O4S
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| Molecular Weight |
431.301
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| Canonical SMILES |
O=C(Nc1cccnc1Cl)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCNC2)c1O
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| InChI |
InChI=1S/C16H16Cl2N4O4S/c17-10-3-4-11(21-16(24)22-12-2-1-6-20-15(12)18)13(23)14(10)27(25,26)9-5-7-19-8-9/h1-4,6,9,19,23H,5,7-8H2,(H2,21,22,24)/t9-/m0/s1
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| InChIKey |
RZKGHMMYGWXTOP-VIFPVBQESA-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