General Information of the Compound
| Compound ID |
CP0557586
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| Compound Name |
US8940771, 101
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| Structure |
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| Formula |
C20H29N7O3S
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| Molecular Weight |
447.565
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| Canonical SMILES |
CCN(CCOC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C
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| InChI |
InChI=1S/C20H29N7O3S/c1-5-26(11-12-30-4)17-22-9-7-14(24-17)15-13(2)23-18(31-15)25-19(29)27-10-6-8-20(27,3)16(21)28/h7,9H,5-6,8,10-12H2,1-4H3,(H2,21,28)(H,23,25,29)/t20-/m0/s1
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| InChIKey |
VNCLYYOFADQXBO-FQEVSTJZSA-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