General Information of the Compound
| Compound ID |
CP0477672
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| Compound Name |
[3-(3-carbamoylphenyl)phenyl] N-[4-(4-phenylpiperazin-1-yl)butyl]carbamate
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCN2CCN(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C28H32N4O3/c29-27(33)24-10-6-8-22(20-24)23-9-7-13-26(21-23)35-28(34)30-14-4-5-15-31-16-18-32(19-17-31)25-11-2-1-3-12-25/h1-3,6-13,20-21H,4-5,14-19H2,(H2,29,33)(H,30,34)
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| InChIKey |
PQLHKVPYCUVYGV-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