General Information of the Compound
| Compound ID |
CP0448967
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| Compound Name |
(1R,3S,5S)-5-Methyl-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 |
C17H23NO
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| Molecular Weight |
257.377
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| Canonical SMILES |
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1[C@](C)(O)CN23
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| InChI |
InChI=1S/C17H23NO/c1-11-3-5-12(6-4-11)14-9-13-7-8-15-16(14)17(2,19)10-18(13)15/h3-6,13-16,19H,7-10H2,1-2H3/t13-,14-,15?,16?,17-/m1/s1
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| InChIKey |
QDNMERQLRWGGDY-AXRJEEMOSA-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