General Information of the Compound
| Compound ID |
CP0903462
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| Compound Name |
N-{3-[(1R,5S)-8-azabicyclo[3.2.1]oct-3-ylsulfonyl]-4-chloro-2-hydroxyphenyl}-N'-(2-chloro-3-pyridinyl)urea
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| Structure |
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| Formula |
C19H20Cl2N4O4S
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| Molecular Weight |
471.366
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| Canonical SMILES |
O=C(Nc1cccnc1Cl)Nc1ccc(Cl)c(S(=O)(=O)C2C[C@H]3CC[C@@H](C2)N3)c1O
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| InChI |
InChI=1S/C19H20Cl2N4O4S/c20-13-5-6-14(24-19(27)25-15-2-1-7-22-18(15)21)16(26)17(13)30(28,29)12-8-10-3-4-11(9-12)23-10/h1-2,5-7,10-12,23,26H,3-4,8-9H2,(H2,24,25,27)/t10-,11+,12?
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| InChIKey |
YWYUYDPAPCOGLE-FOSCPWQOSA-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