General Information of the Compound
| Compound ID |
CP0547281
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| Compound Name |
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]pyrrolo[3,2-b]pyridine
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| Structure |
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| Formula |
C28H32N4
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| Molecular Weight |
424.592
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| Canonical SMILES |
C(CCn1ccc2ncccc12)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H32N4/c1-3-10-24(11-4-1)28(25-12-5-2-6-13-25)32-22-20-30(21-23-32)17-7-8-18-31-19-15-26-27(31)14-9-16-29-26/h1-6,9-16,19,28H,7-8,17-18,20-23H2
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| InChIKey |
UMEYOGSVYGAUDM-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