General Information of the Compound
| Compound ID |
CP0958659
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| Compound Name |
(S)-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 |
C20H16FN3O2
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| Molecular Weight |
349.365
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| Canonical SMILES |
O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C20H16FN3O2/c21-13-7-5-12(6-8-13)10-24-19(25)18-9-15-14-3-1-2-4-16(14)22-17(15)11-23(18)20(24)26/h1-8,18,22H,9-11H2/t18-/m0/s1
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| InChIKey |
QNJROIINZRKOAI-SFHVURJKSA-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