General Information of the Compound
| Compound ID |
CP0484940
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| Compound Name |
US9221790, 3
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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 |
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccc3ccccc23)CC1
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| InChI |
InChI=1S/C25H31ClN4O2/c1-32-24-16-22(27)21(26)15-20(24)25(31)28-17-18-7-12-29(13-8-18)10-4-11-30-14-9-19-5-2-3-6-23(19)30/h2-3,5-6,9,14-16,18H,4,7-8,10-13,17,27H2,1H3,(H,28,31)
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| InChIKey |
BACJEQJZMAJMGA-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