General Information of the Compound
| Compound ID |
CP0374071
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| Compound Name |
1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-amino]-2-[3beta-(4-chlorophenyl)tropane-2beta-carbonylaminomethylbenzene-4-yl]ethane
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| Structure |
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| Formula |
C39H46Cl2N4O2
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| Molecular Weight |
673.729
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| Canonical SMILES |
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1
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| InChI |
InChI=1S/C39H46Cl2N4O2/c1-44-30-15-17-34(44)36(32(21-30)26-7-11-28(40)12-8-26)38(46)42-20-19-24-3-5-25(6-4-24)23-43-39(47)37-33(27-9-13-29(41)14-10-27)22-31-16-18-35(37)45(31)2/h3-14,30-37H,15-23H2,1-2H3,(H,42,46)(H,43,47)/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1
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| InChIKey |
VXFJRJWYWCHNJF-SESHTJHWSA-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