General Information of the Compound
| Compound ID |
CP0140839
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| Compound Name |
(S)-6-bromo-9a-ethyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol-7(3H)-one
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| Structure |
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| Formula |
C16H15BrN2O
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| Molecular Weight |
331.213
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| Canonical SMILES |
CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2
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| InChI |
InChI=1S/C16H15BrN2O/c1-2-16-6-5-13(20)15(17)14(16)9-3-4-12-11(8-18-19-12)10(9)7-16/h3-4,8H,2,5-7H2,1H3,(H,18,19)/t16-/m0/s1
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| InChIKey |
XZYKSPRADMGNHO-INIZCTEOSA-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