General Information of the Compound
| Compound ID |
CP0389313
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| Compound Name |
US9169260, 170
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| Structure |
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| Formula |
C21H23N9O3S
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| Molecular Weight |
481.542
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| Canonical SMILES |
Cc1cnc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H23N9O3S/c1-14-11-23-21(24-12-14)30-18(26-20(31)16-13-25-29-7-3-6-22-19(16)29)10-17(27-30)15-4-8-28(9-5-15)34(2,32)33/h3,6-7,10-13,15H,4-5,8-9H2,1-2H3,(H,26,31)
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| InChIKey |
QVQDNVMXDJXZOB-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