General Information of the Compound
| Compound ID |
CP0494736
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| Compound Name |
1,6-Di[3beta-(4-thiophene-3-yl-phenyl)tropane-2beta-carbonylamino]hexane
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| Structure |
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| Formula |
C44H54N4O2S2
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| Molecular Weight |
735.076
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| Canonical SMILES |
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C
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| InChI |
InChI=1S/C44H54N4O2S2/c1-47-35-15-17-39(47)41(37(25-35)31-11-7-29(8-12-31)33-19-23-51-27-33)43(49)45-21-5-3-4-6-22-46-44(50)42-38(26-36-16-18-40(42)48(36)2)32-13-9-30(10-14-32)34-20-24-52-28-34/h7-14,19-20,23-24,27-28,35-42H,3-6,15-18,21-22,25-26H2,1-2H3,(H,45,49)(H,46,50)/t35?,36?,37-,38-,39?,40?,41-,42+/m1/s1
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| InChIKey |
MVCBKJMODFGYDE-LOKCHCMISA-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