General Information of the Compound
| Compound ID |
CP0453321
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| Compound Name |
(1R,3S,5S)-5-Propyl-3-p-tolyl-7-aza-tricyclo[5.3.0.0*4,8*]decan-5-ol
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| Structure |
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| Formula |
C19H27NO
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| Molecular Weight |
285.431
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| Canonical SMILES |
CCC[C@@]1(O)CN2[C@@H]3CCC2C1[C@H](C3)c1ccc(C)cc1
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| InChI |
InChI=1S/C19H27NO/c1-3-10-19(21)12-20-15-8-9-17(20)18(19)16(11-15)14-6-4-13(2)5-7-14/h4-7,15-18,21H,3,8-12H2,1-2H3/t15-,16-,17?,18?,19-/m1/s1
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| InChIKey |
DZQDCXYKGIEDDJ-XBBDAYDNSA-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