General Information of the Compound
| Compound ID |
CP0561242
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| Compound Name |
US9428456, 1.294
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| Structure |
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| Formula |
C22H29N5O2S
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| Molecular Weight |
427.574
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| Canonical SMILES |
Cc1cncc(c1)C(=O)Nc1nc(CN2CCC(CC2)C(=O)NC2CCCC2)cs1
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| InChI |
InChI=1S/C22H29N5O2S/c1-15-10-17(12-23-11-15)21(29)26-22-25-19(14-30-22)13-27-8-6-16(7-9-27)20(28)24-18-4-2-3-5-18/h10-12,14,16,18H,2-9,13H2,1H3,(H,24,28)(H,25,26,29)
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| InChIKey |
SPGQKEPICMIXAR-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