General Information of the Compound
| Compound ID |
CP0387224
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| Compound Name |
3-[(3R)-7-[3-(dimethylamino)phenoxy]-2,5-dioxo-8-[(2-phenylmethoxyacetyl)amino]-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N,N-dimethylpropanamide
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| Structure |
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| Formula |
C31H35N5O6
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| Molecular Weight |
573.65
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| Canonical SMILES |
CN(C)C(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
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| InChI |
InChI=1S/C31H35N5O6/c1-35(2)21-11-8-12-22(15-21)42-27-16-23-25(34-31(40)24(33-30(23)39)13-14-29(38)36(3)4)17-26(27)32-28(37)19-41-18-20-9-6-5-7-10-20/h5-12,15-17,24H,13-14,18-19H2,1-4H3,(H,32,37)(H,33,39)(H,34,40)/t24-/m1/s1
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| InChIKey |
UXOMSAHRIKVYBU-XMMPIXPASA-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