General Information of the Compound
| Compound ID |
CP0536925
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| Compound Name |
US8940771, 98
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| Structure |
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| Formula |
C24H29N7O2S
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| Molecular Weight |
479.61
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| Canonical SMILES |
CCN(Cc1ccccc1)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C
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| InChI |
InChI=1S/C24H29N7O2S/c1-4-30(15-17-9-6-5-7-10-17)21-26-13-11-18(28-21)19-16(2)27-22(34-19)29-23(33)31-14-8-12-24(31,3)20(25)32/h5-7,9-11,13H,4,8,12,14-15H2,1-3H3,(H2,25,32)(H,27,29,33)/t24-/m0/s1
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| InChIKey |
UHTCYYZDKLDSFJ-DEOSSOPVSA-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