General Information of the Compound
| Compound ID |
CP0553843
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| Compound Name |
US8940771, 112
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| Structure |
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| Formula |
C20H28N6O3S
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| Molecular Weight |
432.55
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| Canonical SMILES |
COC[C@]1(CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(n1)C(C)(C)C)C(N)=O
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| InChI |
InChI=1S/C20H28N6O3S/c1-12-14(13-7-9-22-16(24-13)19(2,3)4)30-17(23-12)25-18(28)26-10-6-8-20(26,11-29-5)15(21)27/h7,9H,6,8,10-11H2,1-5H3,(H2,21,27)(H,23,25,28)/t20-/m1/s1
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| InChIKey |
BBYMTARVGIIRQC-HXUWFJFHSA-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