General Information of the Compound
| Compound ID |
CP0279480
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| Compound Name |
US9266835, 57
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| Structure |
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| Formula |
C31H27Cl2N5O
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| Molecular Weight |
556.497
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| Canonical SMILES |
Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(NC3CCN(CC3)c3ncccn3)c2c1
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| InChI |
InChI=1S/C31H27Cl2N5O/c32-23-7-2-20(3-8-23)30(21-4-9-24(33)10-5-21)22-6-11-27-26(18-22)28(19-29(39)37-27)36-25-12-16-38(17-13-25)31-34-14-1-15-35-31/h1-11,14-15,18-19,25,30H,12-13,16-17H2,(H2,36,37,39)
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| InChIKey |
ICHRKUNLOXCBKZ-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