General Information of the Compound
| Compound ID |
CP0510191
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| Compound Name |
US8680275, 39
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| Structure |
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| Formula |
C23H21N7O
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| Molecular Weight |
411.469
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| Canonical SMILES |
O=C(N1CCC2CN(C2C1)c1cnc2ccccc2n1)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C23H21N7O/c31-23(17-5-1-4-8-20(17)30-25-10-11-26-30)28-12-9-16-14-29(21(16)15-28)22-13-24-18-6-2-3-7-19(18)27-22/h1-8,10-11,13,16,21H,9,12,14-15H2
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| InChIKey |
NULXWPZWUYBRCG-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