General Information of the Compound
| Compound ID |
CP0562672
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| Compound Name |
US8901315, 373
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| Structure |
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| Formula |
C25H29N5O2S
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| Molecular Weight |
463.607
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(N2CCC(O)CC2)c(c1)C#N
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| InChI |
InChI=1S/C25H29N5O2S/c1-16-21-14-23(33-25(21)30(28-16)19-5-3-2-4-6-19)24(32)27-18-7-8-22(17(13-18)15-26)29-11-9-20(31)10-12-29/h7-8,13-14,19-20,31H,2-6,9-12H2,1H3,(H,27,32)
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| InChIKey |
NUTTXRFPFSKIQT-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