General Information of the Compound
| Compound ID |
CP0001237
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| Compound Name |
(1R,9R,18S,19S,21R,22R,23R,25R,32S,34R,35R,36S)-24-phenyl-10,26-dioxa-8,15,24,31-tetraazaundecacyclo[29.5.2.0^{1,32}.0^{2,7}.0^{8,36}.0^{9,22}.0^{13,21}.0^{15,19}.0^{18,23}.0^{25,35}.0^{29,34}]octatriaconta-2,4,6,12,28-pentaene
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| Structure |
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| Formula |
C38H42N4O2
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| Molecular Weight |
586.78
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| Canonical SMILES |
C1CN2CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2CN3CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)c1ccccc1
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| InChI |
InChI=1S/C38H42N4O2/c1-2-6-24(7-3-1)41-34-25-10-14-39-20-22-11-16-43-36(32(34)26(22)18-30(25)39)42-29-9-5-4-8-28(29)38-13-15-40-21-23-12-17-44-37(41)33(35(38)42)27(23)19-31(38)40/h1-9,11-12,25-27,30-37H,10,13-21H2/t25-,26-,27-,30-,31-,32+,33+,34+,35-,36+,37+,38+/m0/s1
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| InChIKey |
VDEOWAISRHKINC-MPCDFULNSA-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: PT05068, Glycine receptor subunit alpha-1
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7