General Information of the Compound
| Compound ID |
CP0579991
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| Compound Name |
6-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-propan-2-ylsulfonylphenyl)-9H-pyrido[2,3-b]indol-4-amine
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| Structure |
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| Formula |
C31H33N5O2S
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| Molecular Weight |
539.705
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| Canonical SMILES |
CC(C)S(=O)(=O)c1ccccc1Nc1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C31H33N5O2S/c1-21(2)39(37,38)29-7-5-4-6-27(29)33-28-14-15-32-31-30(28)25-20-23(10-13-26(25)34-31)22-8-11-24(12-9-22)36-18-16-35(3)17-19-36/h4-15,20-21H,16-19H2,1-3H3,(H2,32,33,34)
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| InChIKey |
KODBLYGFRKCPBS-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