General Information of the Compound
| Compound ID |
CP0490974
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| Compound Name |
1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-amino]-1-[3beta-(4-chlorophenyl)tropane-2beta-carbonyl-aminobenzene-4-yl]methane
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| Structure |
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| Formula |
C37H42Cl2N4O2
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| Molecular Weight |
645.675
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| Canonical SMILES |
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1
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| InChI |
InChI=1S/C37H42Cl2N4O2/c1-42-28-15-17-32(42)34(30(19-28)23-5-9-25(38)10-6-23)36(44)40-21-22-3-13-27(14-4-22)41-37(45)35-31(24-7-11-26(39)12-8-24)20-29-16-18-33(35)43(29)2/h3-14,28-35H,15-21H2,1-2H3,(H,40,44)(H,41,45)/t28?,29?,30-,31-,32?,33?,34-,35+/m1/s1
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| InChIKey |
SIPPOOBBYQOQKQ-UYLXQDHASA-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