General Information of the Compound
| Compound ID |
CP0201676
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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-hydroxy-3-(piperazin-1-yl)propyl)piperazin-1-yl)ethyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one
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| Structure |
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| Formula |
C37H54N6O2S
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| Molecular Weight |
646.946
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(O)CN2CCNCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2
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| InChI |
InChI=1S/C37H54N6O2S/c1-25-19-26(2)21-27(20-25)34-31(9-12-40-15-17-42(18-16-40)24-30(44)23-41-13-10-38-11-14-41)32-22-33(46-35(32)39-34)37(3,4)36(45)43-28-5-6-29(43)8-7-28/h19-22,28-30,38-39,44H,5-18,23-24H2,1-4H3
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| InChIKey |
AGZBTOKWUUPEBM-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