General Information of the Compound
| Compound ID |
CP0948511
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| Compound Name |
3-(6-(4-(2-Hydroxyethyl)piperazin-1-ylsulfonyl)-9H-pyrido[2,3-b]indol-4-ylamino)-phenol
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| Structure |
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| Formula |
C23H25N5O4S
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| Molecular Weight |
467.551
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| Canonical SMILES |
O=S(=O)(c1ccc2[nH]c3nccc(Nc4cccc(O)c4)c3c2c1)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C23H25N5O4S/c29-13-12-27-8-10-28(11-9-27)33(31,32)18-4-5-20-19(15-18)22-21(6-7-24-23(22)26-20)25-16-2-1-3-17(30)14-16/h1-7,14-15,29-30H,8-13H2,(H2,24,25,26)
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| InChIKey |
GRUPZIPRSWJOTD-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