General Information of the Compound
| Compound ID |
CP0373452
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| Compound Name |
6-[4-[1-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]oxyphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H29ClN6O4S
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| Molecular Weight |
593.109
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1
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| InChI |
InChI=1S/C29H29ClN6O4S/c1-29(2,26(38)35-11-13-36(14-12-35)27-32-21-15-18(30)7-10-23(21)41-27)40-19-8-5-17(6-9-19)20-16-22-24(31-20)25(37)34(4)28(39)33(22)3/h5-10,15-16,31H,11-14H2,1-4H3
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| InChIKey |
HDLYYESDVJLDCB-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