General Information of the Compound
| Compound ID |
CP0530606
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| Compound Name |
US8940771, 65
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| Structure |
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| Formula |
C19H26N6O3S
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| Molecular Weight |
418.523
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| Canonical SMILES |
Cc1nc(NC(=O)N2C[C@H](O)C[C@@]2(C)C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
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| InChI |
InChI=1S/C19H26N6O3S/c1-10-13(12-6-7-21-15(23-12)18(2,3)4)29-16(22-10)24-17(28)25-9-11(26)8-19(25,5)14(20)27/h6-7,11,26H,8-9H2,1-5H3,(H2,20,27)(H,22,24,28)/t11-,19+/m1/s1
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| InChIKey |
WFQFNNKSACJJOX-WYRIXSBYSA-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