General Information of the Compound
| Compound ID |
CP0551331
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| Compound Name |
US8940771, 49
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| Structure |
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| Formula |
C20H22N6O2S
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| Molecular Weight |
410.503
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| Canonical SMILES |
Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
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| InChI |
InChI=1S/C20H22N6O2S/c1-12-15(13-4-8-23-14(10-13)20(11-21)6-7-20)29-17(24-12)25-18(28)26-9-3-5-19(26,2)16(22)27/h4,8,10H,3,5-7,9H2,1-2H3,(H2,22,27)(H,24,25,28)/t19-/m0/s1
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| InChIKey |
VEGPQDUBLMLWFJ-IBGZPJMESA-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