General Information of the Compound
| Compound ID |
CP0397081
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| Compound Name |
(2S,4S)-9-(2,4-difluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
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| Structure |
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| Formula |
C18H17F2N3O2
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| Molecular Weight |
345.349
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| Canonical SMILES |
OCC1(CC1)NC(=O)c1nn(c2[C@H]3C[C@H]3Cc12)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C18H17F2N3O2/c19-10-1-2-14(13(20)7-10)23-16-11-5-9(11)6-12(16)15(22-23)17(25)21-18(8-24)3-4-18/h1-2,7,9,11,24H,3-6,8H2,(H,21,25)/t9-,11-/m0/s1
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| InChIKey |
RAMHCAPSUIGEGV-ONGXEEELSA-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2