General Information of the Compound
| Compound ID |
CP0690688
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| Compound Name |
rac-trans-N-(2-(4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl)ethyl)-2-phenylcyclopropanecarboxamide
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| Structure |
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| Formula |
C23H25ClFN3O2
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| Molecular Weight |
429.923
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| Canonical SMILES |
O=C(NCCN1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@H]1C[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C23H25ClFN3O2/c24-19-7-4-8-20(25)21(19)23(30)28-13-11-27(12-14-28)10-9-26-22(29)18-15-17(18)16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H,26,29)/t17-,18+/m1/s1
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| InChIKey |
OSFQPKHWWBUOQF-MSOLQXFVSA-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