General Information of the Compound
| Compound ID |
CP0429131
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| Compound Name |
US9169240, 55
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| Structure |
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| Formula |
C20H14FN5O3S
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| Molecular Weight |
423.429
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| Canonical SMILES |
Fc1cc(cc2sc(nc12)C(=O)c1nnc(N[C@H]2CCNC2=O)o1)-c1ccccc1
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| InChI |
InChI=1S/C20H14FN5O3S/c21-12-8-11(10-4-2-1-3-5-10)9-14-15(12)24-19(30-14)16(27)18-25-26-20(29-18)23-13-6-7-22-17(13)28/h1-5,8-9,13H,6-7H2,(H,22,28)(H,23,26)/t13-/m0/s1
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| InChIKey |
CSQLEUKSTLVNAI-ZDUSSCGKSA-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