General Information of the Compound
| Compound ID |
CP0939920
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| Compound Name |
(5S,11aR)-5-(4-Chlorophenyl)-2-(4-fluorobenzyl)-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 |
C26H19ClFN3O2
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| Molecular Weight |
459.908
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| Canonical SMILES |
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3)N2C(=O)N1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C26H19ClFN3O2/c27-17-9-7-16(8-10-17)24-23-20(19-3-1-2-4-21(19)29-23)13-22-25(32)30(26(33)31(22)24)14-15-5-11-18(28)12-6-15/h1-12,22,24,29H,13-14H2/t22-,24+/m1/s1
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| InChIKey |
VJAPXZXYRHHWMX-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