General Information of the Compound
| Compound ID |
CP0170130
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| Compound Name |
(6aR,9R)-N-[(2R,5S,8S,8aS)-8-benzyl-8a-hydroxy-2-methyl-5-(2-methylpropyl)-3,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[3,2-a]pyrazin-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
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| Structure |
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| Formula |
C34H39N5O5
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| Molecular Weight |
597.716
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| Canonical SMILES |
CC(C)C[C@@H]1N2C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)O[C@@]2(O)[C@H](Cc2ccccc2)NC1=O
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| InChI |
InChI=1S/C34H39N5O5/c1-19(2)13-27-31(41)36-28(14-20-9-6-5-7-10-20)34(43)39(27)32(42)33(3,44-34)37-30(40)22-15-24-23-11-8-12-25-29(23)21(17-35-25)16-26(24)38(4)18-22/h5-12,15,17,19,22,26-28,35,43H,13-14,16,18H2,1-4H3,(H,36,41)(H,37,40)/t22-,26-,27+,28+,33-,34+/m1/s1
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| InChIKey |
FRMZDOIYBVOLRB-CTTKVJGISA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor