General Information of the Compound
| Compound ID |
CP0244390
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| Compound Name |
2-[(3S)-7-chloro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
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| Structure |
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| Formula |
C19H15ClN2O6
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| Molecular Weight |
402.79
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| Canonical SMILES |
OC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C19H15ClN2O6/c20-11-2-3-14-16(6-11)27-8-12(7-18(24)25)22(14)19(26)10-1-4-15-13(5-10)21-17(23)9-28-15/h1-6,12H,7-9H2,(H,21,23)(H,24,25)/t12-/m0/s1
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| InChIKey |
PGROELHINWWVFN-LBPRGKRZSA-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