General Information of the Compound
| Compound ID |
CP0406269
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| Compound Name |
3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile
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| Formula |
C24H25N3
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| Molecular Weight |
355.485
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| Canonical SMILES |
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
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| InChI |
InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
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| InChIKey |
LOEPSYRVNXADMM-XUTJKUGGSA-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