General Information of the Compound
| Compound ID |
CP0542670
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| Compound Name |
US9586948, Example 15
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| Structure |
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| Formula |
C19H21N7O3
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| Molecular Weight |
395.423
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| Canonical SMILES |
COCCNc1cc(ccn1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
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| InChI |
InChI=1S/C19H21N7O3/c1-26-11-15(17(25-26)18(20)27)24-19(28)14-5-3-4-13(23-14)12-6-7-21-16(10-12)22-8-9-29-2/h3-7,10-11H,8-9H2,1-2H3,(H2,20,27)(H,21,22)(H,24,28)
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| InChIKey |
PTBVSPPVENKGSB-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