General Information of the Compound
| Compound ID |
CP0891468
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| Compound Name |
(5S)-6-[(1-naphthylmethyl)amino]-6-oxo-5-[(4R)-3-oxo-4-[(phenylacetyl)amino]-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]hexan-1-aminium trifluoroacetate
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| Structure |
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| Formula |
C39H40F3N5O5
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| Molecular Weight |
715.773
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| Canonical SMILES |
NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C37H39N5O3.C2HF3O2/c38-20-9-8-19-34(36(44)39-23-27-15-10-14-26-13-4-5-16-28(26)27)42-24-33-30(29-17-6-7-18-31(29)40-33)22-32(37(42)45)41-35(43)21-25-11-2-1-3-12-25;3-2(4,5)1(6)7/h1-7,10-18,32,34,40H,8-9,19-24,38H2,(H,39,44)(H,41,43);(H,6,7)/t32-,34+;/m1./s1
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| InChIKey |
FKDSJYRAQVLZBV-JVTBPUHLSA-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