General Information of the Compound
| Compound ID |
CP0210101
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| Compound Name |
1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)acetyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one
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| Structure |
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| Formula |
C36H47N5O3S
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| Molecular Weight |
629.871
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1C(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2
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| InChI |
InChI=1S/C36H47N5O3S/c1-23-17-24(2)19-25(18-23)33-32(29(42)21-38-13-15-39(16-14-38)22-31(43)40-11-5-6-12-40)28-20-30(45-34(28)37-33)36(3,4)35(44)41-26-7-8-27(41)10-9-26/h17-20,26-27,37H,5-16,21-22H2,1-4H3
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| InChIKey |
ZJXSNZWMBZUOTD-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