General Information of the Compound
| Compound ID |
CP0572249
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| Compound Name |
US9428456, 1.226
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| Structure |
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| Formula |
C25H31ClN4O2
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| Molecular Weight |
455.002
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| Canonical SMILES |
Cc1cncc(c1)C(=O)Nc1ccc(Cl)c(CN2CCC(CC2)C(=O)NC2CCCC2)c1
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| InChI |
InChI=1S/C25H31ClN4O2/c1-17-12-19(15-27-14-17)25(32)29-22-6-7-23(26)20(13-22)16-30-10-8-18(9-11-30)24(31)28-21-4-2-3-5-21/h6-7,12-15,18,21H,2-5,8-11,16H2,1H3,(H,28,31)(H,29,32)
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| InChIKey |
BEMHXXTYUFFZNQ-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