General Information of the Compound
| Compound ID |
CP0555355
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| Compound Name |
US9266876, 37
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| Structure |
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| Formula |
C25H24ClN7O2S
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| Molecular Weight |
522.034
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| Canonical SMILES |
Cc1c(Cl)ccc2nc([nH]c12)-c1ncsc1N1CCN(CC1)C(=O)Cn1c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C25H24ClN7O2S/c1-15-16(26)7-8-17-21(15)29-23(28-17)22-24(36-14-27-22)32-11-9-31(10-12-32)20(34)13-33-19-6-4-3-5-18(19)30(2)25(33)35/h3-8,14H,9-13H2,1-2H3,(H,28,29)
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| InChIKey |
PXXTXMUXFSYTBX-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