General Information of the Compound
| Compound ID |
CP0278571
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| Compound Name |
(R)-5-(2-((tetrahydro-2H-pyran-4-yl)methyl)piperazin-1-yl)-1H-indazole
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| Structure |
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| Formula |
C17H24N4O
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| Molecular Weight |
300.406
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| Canonical SMILES |
C(C1CCOCC1)[C@@H]1CNCCN1c1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C17H24N4O/c1-2-17-14(11-19-20-17)10-15(1)21-6-5-18-12-16(21)9-13-3-7-22-8-4-13/h1-2,10-11,13,16,18H,3-9,12H2,(H,19,20)/t16-/m1/s1
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| InChIKey |
ZJJWZZFPUVRGQQ-MRXNPFEDSA-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