General Information of the Compound
| Compound ID |
CP0690323
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| Compound Name |
N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioamide
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| Structure |
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| Formula |
C25H26N6O4S
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| Molecular Weight |
506.588
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| Canonical SMILES |
COc1cc2[nH]c3ncnc(N4CCN(C(=S)NCc5ccc6c(c5)OCO6)CC4)c3c2cc1OC
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| InChI |
InChI=1S/C25H26N6O4S/c1-32-19-10-16-17(11-20(19)33-2)29-23-22(16)24(28-13-27-23)30-5-7-31(8-6-30)25(36)26-12-15-3-4-18-21(9-15)35-14-34-18/h3-4,9-11,13H,5-8,12,14H2,1-2H3,(H,26,36)(H,27,28,29)
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| InChIKey |
YVWCAAQIEDOOLZ-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