General Information of the Compound
| Compound ID |
CP0550181
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| Compound Name |
6-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]-4-[2-[2-(trifluoromethyl)phenyl]ethynyl]-9H-pyrido[2,3-b]indole
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| Structure |
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| Formula |
C32H28F3N4+
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| Molecular Weight |
525.598
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| Canonical SMILES |
C[N+]1(C)CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4C(F)(F)F)c3c2c1
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| InChI |
InChI=1S/C32H28F3N4/c1-39(2)19-17-38(18-20-39)26-12-9-22(10-13-26)25-11-14-29-27(21-25)30-24(15-16-36-31(30)37-29)8-7-23-5-3-4-6-28(23)32(33,34)35/h3-6,9-16,21H,17-20H2,1-2H3,(H,36,37)/q+1
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| InChIKey |
AJXUVZJOLJGULH-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