General Information of the Compound
| Compound ID |
CP0425546
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| Compound Name |
US9163012, 55
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| Formula |
C25H30N4O4S
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| Molecular Weight |
482.606
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| Canonical SMILES |
Cn1ccc(cc1=O)-c1csc(n1)[C@H]1CCCN1C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O
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| InChI |
InChI=1S/C25H30N4O4S/c1-28-6-4-15(9-20(28)30)18-13-34-22(27-18)19-3-2-5-29(19)24(32)33-21-16-7-14-8-17(21)12-25(10-14,11-16)23(26)31/h4,6,9,13-14,16-17,19,21H,2-3,5,7-8,10-12H2,1H3,(H2,26,31)/t14?,16?,17?,19-,21-,25-/m1/s1
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| InChIKey |
FIHCFLDPWDMBMW-GHYWRAEYSA-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