General Information of the Compound
| Compound ID |
CP0663406
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| Compound Name |
(S)-N-Methyl-N-(3,4,5-trimethoxybenzyl)-8-aminopentacyclo[5.4.0.02,6.03,10.05,9]undecane
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| Structure |
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| Formula |
C22H29NO3
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| Molecular Weight |
355.478
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| Canonical SMILES |
COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC
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| InChI |
InChI=1S/C22H29NO3/c1-23(9-10-5-15(24-2)22(26-4)16(6-10)25-3)21-18-12-8-13-17-11(12)7-14(18)19(17)20(13)21/h5-6,11-14,17-21H,7-9H2,1-4H3/t11?,12?,13?,14?,17?,18?,19?,20?,21-/m0/s1
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| InChIKey |
ZFZXJOHWFSRUAO-LLOIJXFCSA-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: PT00871, Sodium-dependent serotonin transporter