General Information of the Compound
| Compound ID |
CP0563213
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| Compound Name |
US8940771, 88
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| Structure |
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| Formula |
C19H25N7O2S
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| Molecular Weight |
415.523
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| Canonical SMILES |
CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CC[C@@H]3C[C@]23C(N)=O)nc1C
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| InChI |
InChI=1S/C19H25N7O2S/c1-4-25(5-2)16-21-8-6-13(23-16)14-11(3)22-17(29-14)24-18(28)26-9-7-12-10-19(12,26)15(20)27/h6,8,12H,4-5,7,9-10H2,1-3H3,(H2,20,27)(H,22,24,28)/t12-,19+/m1/s1
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| InChIKey |
BLPXKPVKPVOUQC-BLVKFPJESA-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