General Information of the Compound
| Compound ID |
CP0468172
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| Compound Name |
US10047103, 254
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| Structure |
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| Formula |
C27H28N6O4S
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| Molecular Weight |
532.626
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| Canonical SMILES |
COc1cc(OCc2csc(NCCCN3CCCC3=O)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C27H28N6O4S/c1-17-6-7-25-30-21(14-33(25)31-17)24-13-20-22(11-19(35-2)12-23(20)37-24)36-15-18-16-38-27(29-18)28-8-4-10-32-9-3-5-26(32)34/h6-7,11-14,16H,3-5,8-10,15H2,1-2H3,(H,28,29)
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| InChIKey |
YOLXUZDUAPWLFO-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