General Information of the Compound
| Compound ID |
CP0466495
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| Compound Name |
US8901315, 380
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| Structure |
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| Formula |
C24H30N6O2S
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| Molecular Weight |
466.611
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
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| InChI |
InChI=1S/C24H30N6O2S/c1-16-19-14-21(33-24(19)30(27-16)18-6-4-3-5-7-18)22(31)26-17-8-9-20(25-15-17)23(32)29-12-10-28(2)11-13-29/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,26,31)
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| InChIKey |
CURDUNQAXIVPBS-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