General Information of the Compound
| Compound ID |
CP0570102
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| Compound Name |
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]indole-5-carbonitrile
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| Structure |
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| Formula |
C30H32N4
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| Molecular Weight |
448.614
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| Canonical SMILES |
N#Cc1ccc2n(CCCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)ccc2c1
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| InChI |
InChI=1S/C30H32N4/c31-24-25-13-14-29-28(23-25)15-18-33(29)17-8-7-16-32-19-21-34(22-20-32)30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-15,18,23,30H,7-8,16-17,19-22H2
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| InChIKey |
SDMNKUUCLACXPF-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