General Information of the Compound
| Compound ID |
CP0374092
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| Compound Name |
(3S,4R)-6,7-Dichloro-4-(5-chloro-benzo[d]isoxazol-3-ylamino)-2,2-dimethyl-chroman-3-ol
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| Structure |
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| Formula |
C18H15Cl3N2O3
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| Molecular Weight |
413.688
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| Canonical SMILES |
CC1(C)Oc2cc(Cl)c(Cl)cc2[C@@H](Nc2noc3ccc(Cl)cc23)[C@@H]1O
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| InChI |
InChI=1S/C18H15Cl3N2O3/c1-18(2)16(24)15(9-6-11(20)12(21)7-14(9)25-18)22-17-10-5-8(19)3-4-13(10)26-23-17/h3-7,15-16,24H,1-2H3,(H,22,23)/t15-,16+/m1/s1
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| InChIKey |
PTGNZWJRQOTYKB-CVEARBPZSA-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