General Information of the Compound
| Compound ID |
CP0381886
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| Compound Name |
(1R,3S,5R)-5-Phenyl-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 |
C22H25NO
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| Molecular Weight |
319.448
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| Canonical SMILES |
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1[C@](O)(CN23)c1ccccc1
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| InChI |
InChI=1S/C22H25NO/c1-15-7-9-16(10-8-15)19-13-18-11-12-20-21(19)22(24,14-23(18)20)17-5-3-2-4-6-17/h2-10,18-21,24H,11-14H2,1H3/t18-,19-,20?,21?,22+/m1/s1
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| InChIKey |
VMBSZAVHWRUISI-KRCSLNALSA-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