General Information of the Compound
| Compound ID |
CP0537618
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| Compound Name |
2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl)propyl)-10H-phenothiazin-2-yl)acetic acid
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| Structure |
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| Formula |
C28H33N5O4S
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| Molecular Weight |
535.67
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
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| InChI |
InChI=1S/C28H33N5O4S/c1-29-25(19-26(34)30(2)28(29)37)32-13-5-11-31(15-16-32)12-6-14-33-21-7-3-4-8-23(21)38-24-10-9-20(17-22(24)33)18-27(35)36/h3-4,7-10,17,19H,5-6,11-16,18H2,1-2H3,(H,35,36)
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| InChIKey |
YJGZARVVQHKNAU-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