General Information of the Compound
| Compound ID |
CP0852832
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| Compound Name |
(S)-6-amino-N-benzyl-2-((R)-3-oxo-4-(2-phenylacetamido)-4,5-dihydroazepino[3,4-b]indol-2(1H,3H,10H)-yl)hexanamide 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C35H38F3N5O5
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| Molecular Weight |
665.713
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| Canonical SMILES |
NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C33H37N5O3.C2HF3O2/c34-18-10-9-17-30(32(40)35-21-24-13-5-2-6-14-24)38-22-29-26(25-15-7-8-16-27(25)36-29)20-28(33(38)41)37-31(39)19-23-11-3-1-4-12-23;3-2(4,5)1(6)7/h1-8,11-16,28,30,36H,9-10,17-22,34H2,(H,35,40)(H,37,39);(H,6,7)/t28-,30+;/m1./s1
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| InChIKey |
AUTAZSRNKRMUDE-HAVJAKGFSA-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: PT00930, Somatostatin receptor type 1
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01398, Somatostatin receptor type 4
Protein ID: PT01196, Somatostatin receptor type 5