General Information of the Compound
| Compound ID |
CP0381199
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| Compound Name |
(+/-)-2-{6-[(6-Fluoro-1H-indazol-3-yl)methyl]-4-methyl-5,7-dioxo-4,5,6,7-tetrahydro-1H-1,4-diazepin-1-yl}-N-(4-fluorophenyl)-N-(1-methylethyl)acetamide
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| Structure |
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| Formula |
C25H25F2N5O3
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| Molecular Weight |
481.503
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| Canonical SMILES |
CC(C)N(C(=O)CN1C=CN(C)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H25F2N5O3/c1-15(2)32(18-7-4-16(26)5-8-18)23(33)14-31-11-10-30(3)24(34)20(25(31)35)13-22-19-9-6-17(27)12-21(19)28-29-22/h4-12,15,20H,13-14H2,1-3H3,(H,28,29)
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| InChIKey |
OGIZWUHTFWKBOP-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