General Information of the Compound
| Compound ID |
CP0573330
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| Compound Name |
US9012651, 62
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| Structure |
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| Formula |
C22H28FN3O2S
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| Molecular Weight |
417.55
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)C(=O)N1CCSCC1
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| InChI |
InChI=1S/C22H28FN3O2S/c1-15(2)21(14-27)24-13-20-18(23)6-7-19(25-20)16-4-3-5-17(12-16)22(28)26-8-10-29-11-9-26/h3-7,12,15,21,24,27H,8-11,13-14H2,1-2H3/t21-/m0/s1
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| InChIKey |
ZNWRJIGLJFYKTA-NRFANRHFSA-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