General Information of the Compound
| Compound ID |
CP0374068
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| Compound Name |
1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-oxy]-5-[(1,2,3)triazol-1-yl]pentane
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| Structure |
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| Formula |
C22H29ClN4O2
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| Molecular Weight |
416.953
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| Canonical SMILES |
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCn1ccnn1
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| InChI |
InChI=1S/C22H29ClN4O2/c1-26-18-9-10-20(26)21(19(15-18)16-5-7-17(23)8-6-16)22(28)29-14-4-2-3-12-27-13-11-24-25-27/h5-8,11,13,18-21H,2-4,9-10,12,14-15H2,1H3/t18?,19-,20?,21+/m1/s1
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| InChIKey |
ACGWDXHPVXMSNJ-KOQKOIQBSA-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