General Information of the Compound
| Compound ID |
CP0953614
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| Compound Name |
1-(4-Methoxy-phenyl)-3-(4-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
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| Structure |
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| Formula |
C27H24N4O
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| Molecular Weight |
420.516
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| Canonical SMILES |
COc1ccc(C2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1
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| InChI |
InChI=1S/C27H24N4O/c1-32-19-13-11-18(12-14-19)25-26-21(20-9-5-6-10-22(20)29-26)15-23(30-25)27-28-16-24(31-27)17-7-3-2-4-8-17/h2-14,16,23,25,29-30H,15H2,1H3,(H,28,31)/t23-,25?/m0/s1
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| InChIKey |
ITLDIACTCBIPIB-LFQPHHBNSA-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