General Information of the Compound
| Compound ID |
CP0412791
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| Compound Name |
(2S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-9-(4-oxidopyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
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| Structure |
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| Formula |
C20H19N5O3
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| Molecular Weight |
377.404
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| Canonical SMILES |
OC[C@@H](NC(=O)c1nn(c2[C@H]3C[C@H]3Cc12)-c1c[n+]([O-])ccn1)c1ccccc1
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| InChI |
InChI=1S/C20H19N5O3/c26-11-16(12-4-2-1-3-5-12)22-20(27)18-15-9-13-8-14(13)19(15)25(23-18)17-10-24(28)7-6-21-17/h1-7,10,13-14,16,26H,8-9,11H2,(H,22,27)/t13-,14-,16+/m0/s1
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| InChIKey |
YSCCRBXMBUUEFB-OFQRWUPVSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT02190, Cannabinoid receptor 1
Protein ID: PT02333, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2