General Information of the Compound
| Compound ID |
CP0202515
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| Compound Name |
(S)-9a-ethyl-6-phenyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol-7(3H)-one
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| Structure |
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| Formula |
C22H20N2O
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| Molecular Weight |
328.415
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| Canonical SMILES |
CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)c1ccccc1
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| InChI |
InChI=1S/C22H20N2O/c1-2-22-11-10-19(25)20(14-6-4-3-5-7-14)21(22)15-8-9-18-17(13-23-24-18)16(15)12-22/h3-9,13H,2,10-12H2,1H3,(H,23,24)/t22-/m0/s1
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| InChIKey |
XMXSDIHLINKFLN-QFIPXVFZSA-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