General Information of the Compound
| Compound ID |
CP0574474
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| Compound Name |
4-(4-benzylphenyl)-6-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-9H-pyrido[2,3-b]indole
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| Structure |
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| Formula |
C40H35N5
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| Molecular Weight |
585.755
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| Canonical SMILES |
C(N1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1)c1cccnc1
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| InChI |
InChI=1S/C40H35N5/c1-2-5-29(6-3-1)25-30-8-10-33(11-9-30)36-18-20-42-40-39(36)37-26-34(14-17-38(37)43-40)32-12-15-35(16-13-32)45-23-21-44(22-24-45)28-31-7-4-19-41-27-31/h1-20,26-27H,21-25,28H2,(H,42,43)
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| InChIKey |
OPVIRWXYXMFFSP-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