General Information of the Compound
| Compound ID |
CP0505772
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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)butanoic acid
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| Structure |
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| Formula |
C30H37N5O4S
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| Molecular Weight |
563.724
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| Canonical SMILES |
CCC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
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| InChI |
InChI=1S/C30H37N5O4S/c1-4-22(29(37)38)21-11-12-26-24(19-21)35(23-9-5-6-10-25(23)40-26)16-8-14-33-13-7-15-34(18-17-33)27-20-28(36)32(3)30(39)31(27)2/h5-6,9-12,19-20,22H,4,7-8,13-18H2,1-3H3,(H,37,38)
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| InChIKey |
MKKJPIHSAMRGEO-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