General Information of the Compound
| Compound ID |
CP0528182
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| Compound Name |
US9586948, Example 3
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| Structure |
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| Formula |
C21H22N6O2
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| Molecular Weight |
390.447
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| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(c2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
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| InChI |
InChI=1S/C21H22N6O2/c1-27-12-17(19(26-27)20(22)28)25-21(29)16-4-2-3-14(9-16)15-7-8-23-18(10-15)24-11-13-5-6-13/h2-4,7-10,12-13H,5-6,11H2,1H3,(H2,22,28)(H,23,24)(H,25,29)
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| InChIKey |
OOEAGDVMZUSPGC-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