General Information of the Compound
| Compound ID |
CP0546949
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| Compound Name |
(1R,15R,17S,18S)-7,17-diethyl-3-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
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| Structure |
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| Formula |
C22H30N2
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| Molecular Weight |
322.496
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| Canonical SMILES |
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3n(C)c2ccc(CC)cc12
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| InChI |
InChI=1S/C22H30N2/c1-4-14-6-7-20-18(11-14)17-8-9-24-13-15-10-16(5-2)21(24)19(12-15)22(17)23(20)3/h6-7,11,15-16,19,21H,4-5,8-10,12-13H2,1-3H3/t15-,16+,19-,21+/m1/s1
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| InChIKey |
TULSMSLMIAUKMH-ZEVBXJOLSA-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