General Information of the Compound
| Compound ID |
CP0910822
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| Compound Name |
SID99309088
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| Structure |
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| Formula |
C20H16ClN3O4
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| Molecular Weight |
397.818
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| Canonical SMILES |
O=C(Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CC[C@H]3O2)c(Cl)c1)c1ccccn1
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| InChI |
InChI=1S/C20H16ClN3O4/c21-11-9-10(23-18(25)12-3-1-2-8-22-12)4-5-13(11)24-19(26)16-14-6-7-15(28-14)17(16)20(24)27/h1-5,8-9,14-17H,6-7H2,(H,23,25)/t14-,15+,16+,17-
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| InChIKey |
KOEUPOPGGUYZAB-ZYGGUILKSA-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