General Information of the Compound
| Compound ID |
CP0920835
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| Compound Name |
N-{3-[(1R,5S)-8-azabicyclo[3.2.1]oct-3-yl]sulfonyl]-4-chloro-2-hydroxyphenyl}-N'-[2-(phenyloxy)phenyl)urea
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| Structure |
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| Formula |
C26H26ClN3O5S
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| Molecular Weight |
528.03
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| Canonical SMILES |
O=C(Nc1ccccc1Oc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)C2C[C@H]3CC[C@@H](C2)N3)c1O
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| InChI |
InChI=1S/C26H26ClN3O5S/c27-20-12-13-22(24(31)25(20)36(33,34)19-14-16-10-11-17(15-19)28-16)30-26(32)29-21-8-4-5-9-23(21)35-18-6-2-1-3-7-18/h1-9,12-13,16-17,19,28,31H,10-11,14-15H2,(H2,29,30,32)/t16-,17+,19?
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| InChIKey |
RLRTXEUJNIAOPO-JJTKIYQPSA-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