General Information of the Compound
| Compound ID |
CP0506694
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| Compound Name |
US9193726, 44
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| Structure |
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| Formula |
C23H23ClN4O3
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| Molecular Weight |
438.915
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3ccc(Cl)cc3)CCn2c1=O
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| InChI |
InChI=1S/C23H23ClN4O3/c1-15-12-27(14-25-15)19-7-8-20-22(29)26(10-11-28(20)23(19)30)13-18-6-9-21(31-18)16-2-4-17(24)5-3-16/h2-5,7-8,12,14,18,21H,6,9-11,13H2,1H3/t18-,21+/m0/s1
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| InChIKey |
RMKKWFPDVWIISU-GHTZIAJQSA-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