General Information of the Compound
| Compound ID |
CP0433654
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| Compound Name |
[(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(2,3-dihydro-1H-isoindol-1-yl)methanone
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| Structure |
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| Formula |
C17H18N2OS
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| Molecular Weight |
298.411
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| Canonical SMILES |
NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc12)c1ccsc1
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| InChI |
InChI=1S/C17H18N2OS/c18-8-13-7-17(13,12-5-6-21-10-12)16(20)15-14-4-2-1-3-11(14)9-19-15/h1-6,10,13,15,19H,7-9,18H2/t13-,15?,17+/m0/s1
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| InChIKey |
RGPDAGIHVSVOQP-BDBMTWCYSA-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