General Information of the Compound
| Compound ID |
CP0521234
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| Compound Name |
US8772304, 2
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| Structure |
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| Formula |
C24H22N10
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| Molecular Weight |
450.51
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| Canonical SMILES |
Cc1ncn(n1)-c1ccc(nc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)C#N
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| InChI |
InChI=1S/C24H22N10/c1-14-29-13-33(32-14)20-8-6-17(10-25)30-21(20)22-31-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)34(22)24(2,3)4/h5-9,11-13H,1-4H3,(H2,26,27,28)
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| InChIKey |
RJRVZGMNKJRPPZ-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