General Information of the Compound
| Compound ID |
CP0463999
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| Compound Name |
[3-(3-carbamoylphenyl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate
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| Structure |
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| Formula |
C27H30N4O3
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| Molecular Weight |
458.562
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| Canonical SMILES |
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C27H30N4O3/c28-26(32)23-9-4-7-21(19-23)22-8-5-12-25(20-22)34-27(33)29-13-6-14-30-15-17-31(18-16-30)24-10-2-1-3-11-24/h1-5,7-12,19-20H,6,13-18H2,(H2,28,32)(H,29,33)
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| InChIKey |
XVXXUEGVEYMXOM-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