General Information of the Compound
| Compound ID |
CP0400586
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| Compound Name |
US8940771, 80
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| Structure |
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| Formula |
C20H30N8O2S
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| Molecular Weight |
446.581
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| Canonical SMILES |
CN(C)CCN(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C
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| InChI |
InChI=1S/C20H30N8O2S/c1-13-15(14-7-9-22-17(24-14)27(5)12-11-26(3)4)31-18(23-13)25-19(30)28-10-6-8-20(28,2)16(21)29/h7,9H,6,8,10-12H2,1-5H3,(H2,21,29)(H,23,25,30)/t20-/m0/s1
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| InChIKey |
XGPOESSTWCMYPH-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