General Information of the Compound
| Compound ID |
CP0503065
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| Compound Name |
methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]benzoate
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| Structure |
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| Formula |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
COC(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
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| InChI |
InChI=1S/C27H29N3O3/c1-33-27(32)25-10-4-9-24(17-25)26(31)29-18-20-5-2-7-22(15-20)23-8-3-6-21(16-23)19-30-13-11-28-12-14-30/h2-10,15-17,28H,11-14,18-19H2,1H3,(H,29,31)
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| InChIKey |
MYLFFZKGICCWIN-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