General Information of the Compound
| Compound ID |
CP0441589
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| Compound Name |
US9193726, 23
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| Structure |
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| Formula |
C25H27ClN4O2
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| Molecular Weight |
450.97
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CC3CCCC(C3)c3ccc(Cl)cc3)CCn2c1=O
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| InChI |
InChI=1S/C25H27ClN4O2/c1-17-14-29(16-27-17)22-9-10-23-24(31)28(11-12-30(23)25(22)32)15-18-3-2-4-20(13-18)19-5-7-21(26)8-6-19/h5-10,14,16,18,20H,2-4,11-13,15H2,1H3
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| InChIKey |
WMGXCCCFAWKKGK-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