General Information of the Compound
| Compound ID |
CP0571692
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| Compound Name |
4-(4-benzylphenyl)-6-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-9H-pyrido[2,3-b]indole
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| Structure |
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| Formula |
C44H42N4O3
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| Molecular Weight |
674.845
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| Canonical SMILES |
COc1cc(CN2CCN(CC2)c2ccc(cc2)-c2ccc3[nH]c4nccc(-c5ccc(Cc6ccccc6)cc5)c4c3c2)cc(OC)c1OC
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| InChI |
InChI=1S/C44H42N4O3/c1-49-40-26-32(27-41(50-2)43(40)51-3)29-47-21-23-48(24-22-47)36-16-13-33(14-17-36)35-15-18-39-38(28-35)42-37(19-20-45-44(42)46-39)34-11-9-31(10-12-34)25-30-7-5-4-6-8-30/h4-20,26-28H,21-25,29H2,1-3H3,(H,45,46)
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| InChIKey |
NCWCDZDSEFWPQC-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