General Information of the Compound
| Compound ID |
CP0393771
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| Compound Name |
methyl 3-[(3R)-7-[3-(dimethylamino)phenoxy]-8-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoate
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| Structure |
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| Formula |
C31H34N4O8
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| Molecular Weight |
590.633
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| Canonical SMILES |
COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(OC)cc3)cc2NC1=O
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| InChI |
InChI=1S/C31H34N4O8/c1-35(2)20-6-5-7-22(14-20)43-27-15-23-25(34-31(39)24(33-30(23)38)12-13-29(37)41-4)16-26(27)32-28(36)18-42-17-19-8-10-21(40-3)11-9-19/h5-11,14-16,24H,12-13,17-18H2,1-4H3,(H,32,36)(H,33,38)(H,34,39)/t24-/m1/s1
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| InChIKey |
KPCXALCSYMGDDV-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