General Information of the Compound
| Compound ID |
CP0517725
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| Compound Name |
2-piperidin-1-yl-N-[[3-[(2-piperidin-1-ylethylamino)methyl]-5-[2-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine
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| Structure |
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| Formula |
C34H53N5
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| Molecular Weight |
531.833
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| Canonical SMILES |
C(CN1CCCCC1)NCc1cc(CNCCN2CCCCC2)cc(c1)-c1ccccc1CN1CCCCC1
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| InChI |
InChI=1S/C34H53N5/c1-6-16-37(17-7-1)22-14-35-27-30-24-31(28-36-15-23-38-18-8-2-9-19-38)26-33(25-30)34-13-5-4-12-32(34)29-39-20-10-3-11-21-39/h4-5,12-13,24-26,35-36H,1-3,6-11,14-23,27-29H2
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| InChIKey |
PJLAYHOPPMRSOF-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