General Information of the Compound
| Compound ID |
CP0400422
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| Compound Name |
1,10-Di[3beta-(4-thiophene-3-yl-phenyl)tropane-2bcarbonyl-amino]decane
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| Structure |
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| Formula |
C48H62N4O2S2
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| Molecular Weight |
791.184
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| Canonical SMILES |
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C
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| InChI |
InChI=1S/C48H62N4O2S2/c1-51-39-19-21-43(51)45(41(29-39)35-15-11-33(12-16-35)37-23-27-55-31-37)47(53)49-25-9-7-5-3-4-6-8-10-26-50-48(54)46-42(30-40-20-22-44(46)52(40)2)36-17-13-34(14-18-36)38-24-28-56-32-38/h11-18,23-24,27-28,31-32,39-46H,3-10,19-22,25-26,29-30H2,1-2H3,(H,49,53)(H,50,54)/t39?,40?,41-,42-,43?,44?,45-,46+/m1/s1
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| InChIKey |
VZAQFIJMTJXBKF-VGYQQOEOSA-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