General Information of the Compound
| Compound ID |
CP0406217
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| Compound Name |
4-(4-(Dimethylamino)benzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
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| Structure |
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| Formula |
C30H37ClN4O
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| Molecular Weight |
505.106
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| Canonical SMILES |
CN(C)c1ccc(CNCCCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C30H37ClN4O/c1-33(2)28-16-10-24(11-17-28)23-32-18-6-9-29(36)34-19-21-35(22-20-34)30(25-7-4-3-5-8-25)26-12-14-27(31)15-13-26/h3-5,7-8,10-17,30,32H,6,9,18-23H2,1-2H3
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| InChIKey |
HOMSTFANHVANNJ-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