General Information of the Compound
| Compound ID |
CP0883886
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| Compound Name |
2-(4-(4-(1H-indol-3-yl)piperidine-1-carbonyl)-3-methylpyridin-2-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C26H23N5O2S
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| Molecular Weight |
469.57
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)ccnc1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C26H23N5O2S/c1-15-17(6-10-27-22(15)24-29-21-9-13-34-23(21)25(32)30-24)26(33)31-11-7-16(8-12-31)19-14-28-20-5-3-2-4-18(19)20/h2-6,9-10,13-14,16,28H,7-8,11-12H2,1H3,(H,29,30,32)
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| InChIKey |
FSWGAVCOTNGQRX-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