General Information of the Compound
| Compound ID |
CP0414759
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| Compound Name |
US10047103, 256
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| Structure |
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| Formula |
C25H25N5O4S
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| Molecular Weight |
491.573
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| Canonical SMILES |
COc1cc(OCc2csc(NCC3CCCO3)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C25H25N5O4S/c1-15-5-6-24-28-20(12-30(24)29-15)23-10-19-21(8-18(31-2)9-22(19)34-23)33-13-16-14-35-25(27-16)26-11-17-4-3-7-32-17/h5-6,8-10,12,14,17H,3-4,7,11,13H2,1-2H3,(H,26,27)
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| InChIKey |
CKPKXLBOVYLIRO-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