General Information of the Compound
| Compound ID |
CP0519483
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| Compound Name |
US9266876, 31
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| Structure |
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| Formula |
C25H25N7O2S
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| Molecular Weight |
487.589
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| Canonical SMILES |
Cc1ccc2[nH]c(nc2c1)-c1ncsc1N1CCN(CC1)C(=O)Cn1c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C25H25N7O2S/c1-16-7-8-17-18(13-16)28-23(27-17)22-24(35-15-26-22)31-11-9-30(10-12-31)21(33)14-32-20-6-4-3-5-19(20)29(2)25(32)34/h3-8,13,15H,9-12,14H2,1-2H3,(H,27,28)
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| InChIKey |
JWULMZFPLLBNIC-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