General Information of the Compound
| Compound ID |
CP0512614
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| Compound Name |
US8901315, 396
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| Formula |
C23H35N5O4S2
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| Molecular Weight |
509.698
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| Canonical SMILES |
Cc1nn(C2CCOCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H35N5O4S2/c1-16-20-15-21(33-23(20)28(25-16)19-7-13-32-14-8-19)22(29)24-17-3-5-18(6-4-17)26-9-11-27(12-10-26)34(2,30)31/h15,17-19H,3-14H2,1-2H3,(H,24,29)/t17-,18-
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| InChIKey |
JZDLORHEVVJQCL-IYARVYRRSA-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