General Information of the Compound
| Compound ID |
CP0472158
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| Compound Name |
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-piperidin-1-ylethoxy)-N-(3-piperidin-1-ylpropyl)aniline
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| Structure |
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| Formula |
C33H51N5O
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| Molecular Weight |
533.805
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| Canonical SMILES |
CN1CCN(Cc2ccccc2-c2ccc(NCCCN3CCCCC3)c(OCCN3CCCCC3)c2)CC1
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| InChI |
InChI=1S/C33H51N5O/c1-35-21-23-38(24-22-35)28-30-11-4-5-12-31(30)29-13-14-32(34-15-10-20-36-16-6-2-7-17-36)33(27-29)39-26-25-37-18-8-3-9-19-37/h4-5,11-14,27,34H,2-3,6-10,15-26,28H2,1H3
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| InChIKey |
CIIDMKJSFICQOJ-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