General Information of the Compound
| Compound ID |
CP0426893
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| Compound Name |
N-[4-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)butyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C30H31N3OS
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| Molecular Weight |
481.665
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| Canonical SMILES |
O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)c1cc2ccccc2s1
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| InChI |
InChI=1S/C30H31N3OS/c34-30(29-20-24-11-3-6-14-28(24)35-29)31-15-7-8-16-32-17-18-33-26-13-5-2-10-23(26)19-22-9-1-4-12-25(22)27(33)21-32/h1-6,9-14,20,27H,7-8,15-19,21H2,(H,31,34)
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| InChIKey |
IBGOYLLAGSRGCH-UHFFFAOYSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor