General Information of the Compound
| Compound ID |
CP0380479
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| Compound Name |
US9090596, 52
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| Structure |
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| Formula |
C23H24ClN3O6
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| Molecular Weight |
473.913
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| Canonical SMILES |
CN(C)C(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
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| InChI |
InChI=1S/C23H24ClN3O6/c1-11-5-8-14(33-11)21(23(2)9-32-10-23)26-17-16(19(29)20(17)30)25-13-7-6-12(24)15(18(13)28)22(31)27(3)4/h5-8,21,25-26,28H,9-10H2,1-4H3/t21-/m0/s1
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| InChIKey |
JVOHPOBSHINFNU-NRFANRHFSA-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