General Information of the Compound
| Compound ID |
CP0374073
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| Compound Name |
1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-amino]-2-[3beta-(4-chlorophenyl)tropane-2beta-carbonyl-piperidine-4-yl]ethane
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| Structure |
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| Formula |
C37H48Cl2N4O2
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| Molecular Weight |
651.723
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| Canonical SMILES |
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCC1CCN(CC1)C(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C
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| InChI |
InChI=1S/C37H48Cl2N4O2/c1-41-28-11-13-32(41)34(30(21-28)24-3-7-26(38)8-4-24)36(44)40-18-15-23-16-19-43(20-17-23)37(45)35-31(25-5-9-27(39)10-6-25)22-29-12-14-33(35)42(29)2/h3-10,23,28-35H,11-22H2,1-2H3,(H,40,44)/t28?,29?,30-,31-,32?,33?,34+,35-/m1/s1
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| InChIKey |
MXPYLJDZHAVWJM-DKOHEDPJSA-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