General Information of the Compound
| Compound ID |
CP0903568
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| Compound Name |
(5S,11aR)-2-Benzyl-5-(4-fluorophenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
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| Structure |
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| Formula |
C26H20FN3O2
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| Molecular Weight |
425.463
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| Canonical SMILES |
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C(=O)N1Cc1ccccc1
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| InChI |
InChI=1S/C26H20FN3O2/c27-18-12-10-17(11-13-18)24-23-20(19-8-4-5-9-21(19)28-23)14-22-25(31)29(26(32)30(22)24)15-16-6-2-1-3-7-16/h1-13,22,24,28H,14-15H2/t22-,24+/m1/s1
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| InChIKey |
UYOSJOUKQSGIHA-VWNXMTODSA-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