General Information of the Compound
| Compound ID |
CP0414825
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| Compound Name |
US8772304, 28
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| Structure |
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| Formula |
C23H23N9
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| Molecular Weight |
425.5
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| Canonical SMILES |
Cc1ccc(-c2nc3cc(ccc3n2C(C)(C)C)-c2cnc(N)nc2)c(n1)-n1cncn1
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| InChI |
InChI=1S/C23H23N9/c1-14-5-7-17(20(29-14)31-13-25-12-28-31)21-30-18-9-15(16-10-26-22(24)27-11-16)6-8-19(18)32(21)23(2,3)4/h5-13H,1-4H3,(H2,24,26,27)
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| InChIKey |
PBHABSPOZARAGR-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