General Information of the Compound
| Compound ID |
CP0546948
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| Compound Name |
(1R,15R,17S,18S)-17-ethyl-3-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
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| Structure |
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| Formula |
C20H26N2
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| Molecular Weight |
294.442
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| Canonical SMILES |
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3n(C)c2ccccc12
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| InChI |
InChI=1S/C20H26N2/c1-3-14-10-13-11-17-19(14)22(12-13)9-8-16-15-6-4-5-7-18(15)21(2)20(16)17/h4-7,13-14,17,19H,3,8-12H2,1-2H3/t13-,14+,17-,19+/m1/s1
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| InChIKey |
LXGQJDWIMJPUFD-AHMDFLBRSA-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: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT04993, Synaptic vesicular amine transporter