General Information of the Compound
| Compound ID |
CP0045475
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| Compound Name |
(S)-6-bromo-9a-(2-cyclopropyl-ethyl)-8,9,9a,10-tetrahydro-3H-2,3-diaza-cyclopenta[a]fluoren-7-one
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| Structure |
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| Formula |
C19H19BrN2O
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| Molecular Weight |
371.278
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| Canonical SMILES |
BrC1=C2c3ccc4[nH]ncc4c3C[C@]2(CCC2CC2)CCC1=O
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| InChI |
InChI=1S/C19H19BrN2O/c20-18-16(23)6-8-19(7-5-11-1-2-11)9-13-12(17(18)19)3-4-15-14(13)10-21-22-15/h3-4,10-11H,1-2,5-9H2,(H,21,22)/t19-/m0/s1
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| InChIKey |
GPLBMHOXSCTHHS-IBGZPJMESA-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