General Information of the Compound
| Compound ID |
CP0548086
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| Compound Name |
US9428456, 1.324
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| Structure |
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| Formula |
C23H30ClN5O2
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| Molecular Weight |
443.979
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| Canonical SMILES |
Cc1cc(C(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC(C)(C)C)c2)c(Cl)nn1
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| InChI |
InChI=1S/C23H30ClN5O2/c1-15-12-19(20(24)28-27-15)22(31)25-18-7-5-6-16(13-18)14-29-10-8-17(9-11-29)21(30)26-23(2,3)4/h5-7,12-13,17H,8-11,14H2,1-4H3,(H,25,31)(H,26,30)
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| InChIKey |
BQFLAJAPIVRVIL-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