General Information of the Compound
| Compound ID |
CP0847225
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| Compound Name |
2-(6-chloro-4-(3-(4-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl)piperazin-1-yl)phenyl)quinazolin-2-yl)guanidine
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| Structure |
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| Formula |
C25H30ClN7O6
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| Molecular Weight |
560.011
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| Canonical SMILES |
NC(N)=Nc1nc(-c2cccc(N3CCN(C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC3)c2)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C25H30ClN7O6/c26-14-4-5-17-16(11-14)19(30-25(29-17)31-24(27)28)13-2-1-3-15(10-13)32-6-8-33(9-7-32)23(39)22(38)21(37)20(36)18(35)12-34/h1-5,10-11,18,20-22,34-38H,6-9,12H2,(H4,27,28,29,30,31)/t18-,20-,21+,22-/m1/s1
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| InChIKey |
OAUXMELQTIDGEM-PSWRPDDJSA-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