General Information of the Compound
| Compound ID |
CP0205403
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| Compound Name |
(1R,7S)-4-(2-fluorophenyl)-1,10,10-trimethyl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
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| Structure |
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| Formula |
C20H23FN2O
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| Molecular Weight |
326.415
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| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(=O)n(-c2ccccc2F)n1CC=C
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| InChI |
InChI=1S/C20H23FN2O/c1-5-12-22-17-16(13-10-11-20(17,4)19(13,2)3)18(24)23(22)15-9-7-6-8-14(15)21/h5-9,13H,1,10-12H2,2-4H3/t13-,20+/m1/s1
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| InChIKey |
VNOUQSPHCUCMJL-XCLFUZPHSA-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