General Information of the Compound
| Compound ID |
CP0494318
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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)-2-methylpropanoic acid
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| Structure |
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| Formula |
C32H41N5O4
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| Molecular Weight |
559.711
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(cc23)C(C)(C)C(O)=O)CC1
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| InChI |
InChI=1S/C32H41N5O4/c1-32(2,30(39)40)25-14-13-24-12-11-23-9-5-6-10-26(23)37(27(24)21-25)18-8-16-35-15-7-17-36(20-19-35)28-22-29(38)34(4)31(41)33(28)3/h5-6,9-10,13-14,21-22H,7-8,11-12,15-20H2,1-4H3,(H,39,40)
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| InChIKey |
DVZWFDDQIOLGDS-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