General Information of the Compound
| Compound ID |
CP0539815
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| Compound Name |
US9266876, 33
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| Structure |
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| Formula |
C25H25N7O3S
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| Molecular Weight |
503.588
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| Canonical SMILES |
COc1ccc2[nH]c(nc2c1)-c1ncsc1N1CCN(CC1)C(=O)Cn1c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C25H25N7O3S/c1-29-19-5-3-4-6-20(19)32(25(29)34)14-21(33)30-9-11-31(12-10-30)24-22(26-15-36-24)23-27-17-8-7-16(35-2)13-18(17)28-23/h3-8,13,15H,9-12,14H2,1-2H3,(H,27,28)
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| InChIKey |
IPVUFYRXDQPWGO-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