General Information of the Compound
| Compound ID |
CP0493371
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| Compound Name |
3-[(3R)-7-[3-(dimethylamino)phenoxy]-8-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-propylpropanamide
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| Structure |
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| Formula |
C32H36FN5O6
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| Molecular Weight |
605.667
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| Canonical SMILES |
CCCNC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(F)cc3)cc2NC1=O
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| InChI |
InChI=1S/C32H36FN5O6/c1-4-14-34-29(39)13-12-25-32(42)37-26-17-27(35-30(40)19-43-18-20-8-10-21(33)11-9-20)28(16-24(26)31(41)36-25)44-23-7-5-6-22(15-23)38(2)3/h5-11,15-17,25H,4,12-14,18-19H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t25-/m1/s1
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| InChIKey |
KOXVWQRRBWFDME-RUZDIDTESA-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