General Information of the Compound
| Compound ID |
CP0469819
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| Compound Name |
US9469631, 66
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| Structure |
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| Formula |
C22H29N5O3S
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| Molecular Weight |
443.573
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1nnc(N)s1
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| InChI |
InChI=1S/C22H29N5O3S/c1-22(2,3)30-21(29)26-12-10-17(11-13-26)27(16-8-9-16)19(28)15-6-4-14(5-7-15)18-24-25-20(23)31-18/h4-7,16-17H,8-13H2,1-3H3,(H2,23,25)
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| InChIKey |
RHKWHLDRQMFYPC-UHFFFAOYSA-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