General Information of the Compound
| Compound ID |
CP0544067
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| Compound Name |
(4-phenylphenyl) N-[(E)-4-(4-phenylpiperazin-1-yl)but-2-enyl]carbamate
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| Formula |
C27H29N3O2
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| Molecular Weight |
427.548
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| Canonical SMILES |
O=C(NC\C=C\CN1CCN(CC1)c1ccccc1)Oc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H29N3O2/c31-27(32-26-15-13-24(14-16-26)23-9-3-1-4-10-23)28-17-7-8-18-29-19-21-30(22-20-29)25-11-5-2-6-12-25/h1-16H,17-22H2,(H,28,31)/b8-7+
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| InChIKey |
ZWQWAFWCHCIHEO-BQYQJAHWSA-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