General Information of the Compound
| Compound ID |
CP0576271
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| Compound Name |
4-(4-benzylphenyl)-6-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
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| Structure |
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| Formula |
C37H32N4
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| Molecular Weight |
532.691
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| Canonical SMILES |
C#CCN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
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| InChI |
InChI=1S/C37H32N4/c1-2-20-40-21-23-41(24-22-40)32-15-12-29(13-16-32)31-14-17-35-34(26-31)36-33(18-19-38-37(36)39-35)30-10-8-28(9-11-30)25-27-6-4-3-5-7-27/h1,3-19,26H,20-25H2,(H,38,39)
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| InChIKey |
IINNPWUWJAFATL-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