General Information of the Compound
| Compound ID |
CP0418326
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| Compound Name |
US9193726, 37
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| Structure |
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| Formula |
C25H27ClN4O3
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| Molecular Weight |
466.969
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| Canonical SMILES |
CC(C)c1cc(O[C@@H]2CC[C@H]2N2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)ccc1Cl
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| InChI |
InChI=1S/C25H27ClN4O3/c1-15(2)18-12-17(4-5-19(18)26)33-23-9-8-20(23)29-10-11-30-22(25(29)32)7-6-21(24(30)31)28-13-16(3)27-14-28/h4-7,12-15,20,23H,8-11H2,1-3H3/t20-,23-/m1/s1
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| InChIKey |
ASEOFGJYBNVYKO-NFBKMPQASA-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