General Information of the Compound
| Compound ID |
CP0368599
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| Compound Name |
1-[[7-[5-chloro-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C26H29ClN4O2S
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| Molecular Weight |
497.064
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| Canonical SMILES |
C[C@H]1CNC[C@H](C)N1Cc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)CCC3=O)sc12
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| InChI |
InChI=1S/C26H29ClN4O2S/c1-15-8-18(27)9-21(22(15)14-30-16(2)11-28-12-17(30)3)20-6-7-29-23-10-19(34-26(20)23)13-31-24(32)4-5-25(31)33/h6-10,16-17,28H,4-5,11-14H2,1-3H3/t16-,17-/m0/s1
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| InChIKey |
ZPKJNNBGFQUARW-IRXDYDNUSA-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