General Information of the Compound
| Compound ID |
CP0885394
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| Compound Name |
1-naphthyl N-[4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]carbamate hydrochloride
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| Structure |
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| Formula |
C26H29ClF3N3O2
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| Molecular Weight |
507.984
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| Canonical SMILES |
Cl.O=C(NCCCCN1CCN(c2ccccc2C(F)(F)F)CC1)Oc1cccc2ccccc12
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| InChI |
InChI=1S/C26H28F3N3O2.ClH/c27-26(28,29)22-11-3-4-12-23(22)32-18-16-31(17-19-32)15-6-5-14-30-25(33)34-24-13-7-9-20-8-1-2-10-21(20)24;/h1-4,7-13H,5-6,14-19H2,(H,30,33);1H
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| InChIKey |
CXQAVQPVKJMMCT-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