General Information of the Compound
| Compound ID |
CP0954038
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| Compound Name |
3-(6-(morpholinosulfonyl)-9H-pyrido[2,3-b]indol-4-ylamino)phenol
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| Structure |
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| Formula |
C21H20N4O4S
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| Molecular Weight |
424.482
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| Canonical SMILES |
O=S(=O)(c1ccc2[nH]c3nccc(Nc4cccc(O)c4)c3c2c1)N1CCOCC1
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| InChI |
InChI=1S/C21H20N4O4S/c26-15-3-1-2-14(12-15)23-19-6-7-22-21-20(19)17-13-16(4-5-18(17)24-21)30(27,28)25-8-10-29-11-9-25/h1-7,12-13,26H,8-11H2,(H2,22,23,24)
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| InChIKey |
TWJVGFNDTNMECS-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