General Information of the Compound
| Compound ID |
CP0567889
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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(9),5,7-tetraen-7-ol;hydrochloride
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| Structure |
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| Formula |
C20H27ClN2O
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| Molecular Weight |
346.902
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| Canonical SMILES |
Cl.CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3n(C)c2ccc(O)cc12
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| InChI |
InChI=1S/C20H26N2O.ClH/c1-3-13-8-12-9-17-19(13)22(11-12)7-6-15-16-10-14(23)4-5-18(16)21(2)20(15)17;/h4-5,10,12-13,17,19,23H,3,6-9,11H2,1-2H3;1H/t12-,13+,17-,19+;/m1./s1
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| InChIKey |
DDJKPXFJUAJWME-JTWBLITDSA-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