General Information of the Compound
| Compound ID |
CP0562671
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| Compound Name |
US8901315, 370
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| Synonyms |
ASB-16165
PDE7 inhibitor (topical, psoriasis), Asubio
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| Structure |
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| Formula |
C23H29N5O2S
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| Molecular Weight |
439.585
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)N1CCC(O)CC1
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| InChI |
InChI=1S/C23H29N5O2S/c1-15-19-13-20(31-23(19)28(26-15)17-5-3-2-4-6-17)22(30)25-16-7-8-21(24-14-16)27-11-9-18(29)10-12-27/h7-8,13-14,17-18,29H,2-6,9-12H2,1H3,(H,25,30)
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| InChIKey |
NFWMSIMJLJHZPQ-UHFFFAOYSA-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
Clinical Information about the Compound