General Information of the Compound
| Compound ID |
CP0572337
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| Compound Name |
US8901315, 258
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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 |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CC[C@H](CN2C(=O)CNC2=O)C1
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| InChI |
InChI=1S/C22H29N5O3S/c1-13-17-10-18(31-21(17)27(25-13)16-5-3-2-4-6-16)20(29)24-15-8-7-14(9-15)12-26-19(28)11-23-22(26)30/h10,14-16H,2-9,11-12H2,1H3,(H,23,30)(H,24,29)/t14-,15?/m0/s1
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| InChIKey |
NEHZQDDBZCRSJY-MLCCFXAWSA-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