General Information of the Compound
| Compound ID |
CP0499659
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| Compound Name |
US9428500, 29
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| Structure |
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| Formula |
C31H31N5O2S
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| Molecular Weight |
537.689
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4NS(C)(=O)=O)c3c2c1
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| InChI |
InChI=1S/C31H31N5O2S/c1-35-17-19-36(20-18-35)26-12-9-22(10-13-26)25-11-14-29-27(21-25)30-24(15-16-32-31(30)33-29)8-7-23-5-3-4-6-28(23)34-39(2,37)38/h3-16,21,34H,17-20H2,1-2H3,(H,32,33)/b8-7+
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| InChIKey |
PHRMBEHWPUZHLK-BQYQJAHWSA-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