General Information of the Compound
| Compound ID |
CP0867810
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| Compound Name |
US9085531, 125
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| Structure |
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| Formula |
C17H16ClN3
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| Molecular Weight |
297.789
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| Canonical SMILES |
CN1Cc2ccccc2C(c2ccc3[nH]ncc3c2)C1Cl
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| InChI |
InChI=1S/C17H16ClN3/c1-21-10-12-4-2-3-5-14(12)16(17(21)18)11-6-7-15-13(8-11)9-19-20-15/h2-9,16-17H,10H2,1H3,(H,19,20)
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| InChIKey |
QZPLEAFLOSWGNS-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter