General Information of the Compound
| Compound ID |
CP0921717
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| Compound Name |
N-{4-chloro-2-hydroxy-3-[(3S)-3-pyrrolidinylsulfonyl]-phenyl}-N'-[2-(phenyloxy)phenyl]urea
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| Structure |
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| Formula |
C23H22ClN3O5S
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| Molecular Weight |
487.965
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| Canonical SMILES |
O=C(Nc1ccccc1Oc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCNC2)c1O
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| InChI |
InChI=1S/C23H22ClN3O5S/c24-17-10-11-19(21(28)22(17)33(30,31)16-12-13-25-14-16)27-23(29)26-18-8-4-5-9-20(18)32-15-6-2-1-3-7-15/h1-11,16,25,28H,12-14H2,(H2,26,27,29)/t16-/m0/s1
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| InChIKey |
RPNXJDDPJUHEGW-INIZCTEOSA-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