General Information of the Compound
| Compound ID |
CP0534774
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| Compound Name |
10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl)propyl)-10H-phenothiazine-1-carboxylic acid
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| Structure |
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| Formula |
C27H31N5O4S
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| Molecular Weight |
521.643
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3cccc(C(O)=O)c23)CC1
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| InChI |
InChI=1S/C27H31N5O4S/c1-28-23(18-24(33)29(2)27(28)36)31-14-6-12-30(16-17-31)13-7-15-32-20-9-3-4-10-21(20)37-22-11-5-8-19(25(22)32)26(34)35/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,34,35)
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| InChIKey |
GGTPJIUWVNXICI-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