General Information of the Compound
| Compound ID |
CP0478132
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| Compound Name |
US9120798, 14
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| Structure |
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| Formula |
C30H38ClN5O2S
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| Molecular Weight |
568.187
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| Canonical SMILES |
CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)C2CCOCC2)CC1
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| InChI |
InChI=1S/C30H38ClN5O2S/c1-29(2,3)18-35-14-12-30(13-15-35)19-36(26-24(37)9-8-21(31)25(26)30)23-7-5-4-6-22(23)32-28-34-33-27(39-28)20-10-16-38-17-11-20/h4-9,20,37H,10-19H2,1-3H3,(H,32,34)
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| InChIKey |
CJMADGOFXIICCZ-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