General Information of the Compound
| Compound ID |
CP0454090
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| Compound Name |
2-(4-(2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl)-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl)ethyl)piperazin-1-yl)-N,N-dimethylacetamide
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| Structure |
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| Formula |
C34H47N5O2S
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| Molecular Weight |
589.85
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| Canonical SMILES |
CN(C)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1
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| InChI |
InChI=1S/C34H47N5O2S/c1-22-17-23(2)19-24(18-22)31-27(11-12-37-13-15-38(16-14-37)21-30(40)36(5)6)28-20-29(42-32(28)35-31)34(3,4)33(41)39-25-7-8-26(39)10-9-25/h17-20,25-26,35H,7-16,21H2,1-6H3
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| InChIKey |
VPZCRWKFXSQLLK-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