General Information of the Compound
| Compound ID |
CP0550155
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| Compound Name |
2-[4-[4-[4-(4-benzylphenyl)-9H-pyrido[2,3-b]indol-6-yl]phenyl]-1-methylpiperazin-1-ium-1-yl]acetic acid
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| Structure |
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| Formula |
C37H35N4O2+
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| Molecular Weight |
567.713
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| Canonical SMILES |
C[N+]1(CC(O)=O)CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
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| InChI |
InChI=1S/C37H34N4O2/c1-41(25-35(42)43)21-19-40(20-22-41)31-14-11-28(12-15-31)30-13-16-34-33(24-30)36-32(17-18-38-37(36)39-34)29-9-7-27(8-10-29)23-26-5-3-2-4-6-26/h2-18,24H,19-23,25H2,1H3,(H-,38,39,42,43)/p+1
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| InChIKey |
JCXLKLYQJLKPPT-UHFFFAOYSA-O
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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