General Information of the Compound
| Compound ID |
CP0400141
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| Compound Name |
3-(4-(4-chlorophenyl)piperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)propan-1-amine
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| Structure |
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| Formula |
C26H33ClN4O
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| Molecular Weight |
453.03
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| Canonical SMILES |
CCCc1nc(c(CNCCCN2CCN(CC2)c2ccc(Cl)cc2)o1)-c1ccccc1
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| InChI |
InChI=1S/C26H33ClN4O/c1-2-7-25-29-26(21-8-4-3-5-9-21)24(32-25)20-28-14-6-15-30-16-18-31(19-17-30)23-12-10-22(27)11-13-23/h3-5,8-13,28H,2,6-7,14-20H2,1H3
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| InChIKey |
KSDKUVJKNHCJCB-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