General Information of the Compound
| Compound ID |
CP0521545
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| Compound Name |
US9200001, 111
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
COc1nc(cc(n1)-n1nc(C)nc1C)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C20H21N7O/c1-11-21-12(2)27(25-11)18-10-16(23-20(24-18)28-4)13-9-14(13)19-22-15-7-5-6-8-17(15)26(19)3/h5-8,10,13-14H,9H2,1-4H3/t13-,14-/m0/s1
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| InChIKey |
GUBVGXQAPYZWDC-KBPBESRZSA-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