General Information of the Compound
| Compound ID |
CP0914902
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| Compound Name |
(5S)-6-(benzylamino)-5-[(4R)-4-[(diphenylacetyl)amino]-3-oxo-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]-6-oxohexan-1-aminium trifluoroacetate
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| Structure |
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| Formula |
C41H42F3N5O5
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| Molecular Weight |
741.811
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| Canonical SMILES |
NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C39H41N5O3.C2HF3O2/c40-23-13-12-22-35(37(45)41-25-27-14-4-1-5-15-27)44-26-34-31(30-20-10-11-21-32(30)42-34)24-33(39(44)47)43-38(46)36(28-16-6-2-7-17-28)29-18-8-3-9-19-29;3-2(4,5)1(6)7/h1-11,14-21,33,35-36,42H,12-13,22-26,40H2,(H,41,45)(H,43,46);(H,6,7)/t33-,35+;/m1./s1
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| InChIKey |
RHNGNMWBGQDHCL-WUVDXXIJSA-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