General Information of the Compound
| Compound ID |
CP0676996
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| Compound Name |
rac-trans-N-(3-(4-(2-chloro-6-fluorobenzyl)piperazin-1-yl)propyl)-2-phenylcyclopropanecarboxamide
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| Structure |
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| Formula |
C24H29ClFN3O
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| Molecular Weight |
429.967
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| Canonical SMILES |
O=C(NCCCN1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1C[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C24H29ClFN3O/c25-22-8-4-9-23(26)21(22)17-29-14-12-28(13-15-29)11-5-10-27-24(30)20-16-19(20)18-6-2-1-3-7-18/h1-4,6-9,19-20H,5,10-17H2,(H,27,30)/t19-,20+/m1/s1
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| InChIKey |
GAHQIUCRVXIXRV-UXHICEINSA-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