General Information of the Compound
| Compound ID |
CP0511447
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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)-10,11-dihydro-5Hdibenzo[b,f]azepin-3-yl)acetic acid
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| Structure |
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| Formula |
C30H37N5O4
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| Molecular Weight |
531.657
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
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| InChI |
InChI=1S/C30H37N5O4/c1-31-27(21-28(36)32(2)30(31)39)34-15-5-13-33(17-18-34)14-6-16-35-25-8-4-3-7-23(25)11-12-24-10-9-22(19-26(24)35)20-29(37)38/h3-4,7-10,19,21H,5-6,11-18,20H2,1-2H3,(H,37,38)
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| InChIKey |
BDOFZYNAHBHVET-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