General Information of the Compound
| Compound ID |
CP0490942
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| Compound Name |
US9266876, 102
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| Structure |
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| Formula |
C27H29N7O4S
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| Molecular Weight |
547.641
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| Canonical SMILES |
COCCOc1ccc2[nH]c(nc2c1)-c1ncsc1N1CCN(CC1)C(=O)Cn1c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C27H29N7O4S/c1-31-21-5-3-4-6-22(21)34(27(31)36)16-23(35)32-9-11-33(12-10-32)26-24(28-17-39-26)25-29-19-8-7-18(15-20(19)30-25)38-14-13-37-2/h3-8,15,17H,9-14,16H2,1-2H3,(H,29,30)
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| InChIKey |
RXEMPAXNECZXGS-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