General Information of the Compound
| Compound ID |
CP0467025
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| Compound Name |
N-[(2R)-1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]-N-methylcyclohexanecarboxamide
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| Structure |
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| Formula |
C23H32ClN5OS
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| Molecular Weight |
462.063
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| Canonical SMILES |
CN([C@@H](CN1CCN(CC1)c1nsnc1Cl)Cc1ccccc1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C23H32ClN5OS/c1-27(23(30)19-10-6-3-7-11-19)20(16-18-8-4-2-5-9-18)17-28-12-14-29(15-13-28)22-21(24)25-31-26-22/h2,4-5,8-9,19-20H,3,6-7,10-17H2,1H3/t20-/m1/s1
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| InChIKey |
NCBLHOIYRNPNIJ-HXUWFJFHSA-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