General Information of the Compound
| Compound ID |
CP0504935
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| Compound Name |
2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl)propyl)-5,11-dihydrodibenzo[b,e][1,4]oxazepin-7-yl)propanoic acid
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| Structure |
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| Formula |
C30H37N5O5
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| Molecular Weight |
547.656
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| Canonical SMILES |
CC(C(O)=O)c1ccc2OCc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
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| InChI |
InChI=1S/C30H37N5O5/c1-21(29(37)38)22-10-11-26-25(18-22)35(24-9-5-4-8-23(24)20-40-26)15-7-13-33-12-6-14-34(17-16-33)27-19-28(36)32(3)30(39)31(27)2/h4-5,8-11,18-19,21H,6-7,12-17,20H2,1-3H3,(H,37,38)
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| InChIKey |
DMMAFYCLHWGPBF-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