General Information of the Compound
| Compound ID |
CP0466494
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| Compound Name |
US8901315, 339
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| Structure |
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| Formula |
C21H29N5O3S
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| Molecular Weight |
431.562
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NCC(C)(C)CN1C(=O)CNC1=O
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| InChI |
InChI=1S/C21H29N5O3S/c1-13-15-9-16(30-19(15)26(24-13)14-7-5-4-6-8-14)18(28)23-11-21(2,3)12-25-17(27)10-22-20(25)29/h9,14H,4-8,10-12H2,1-3H3,(H,22,29)(H,23,28)
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| InChIKey |
BNXRIEOSVIRMMR-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