47953 -OEChem-10051720443D 28 30 0 1 0 0 0 0 0999 V2000 -3.3476 -0.3118 -0.9501 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 0.3476 -0.0347 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1169 -0.2227 1.0502 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8767 1.2641 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9766 0.0615 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 -0.8559 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 0.1728 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 1.2752 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7455 -1.0951 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 1.1109 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 -1.2593 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 -0.1563 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4456 -0.3309 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 -0.7900 1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6948 1.9153 0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 1.6830 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9878 0.9352 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5074 -0.7751 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -1.9436 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2348 -0.6172 0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -0.9869 -1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6115 2.2679 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -1.9658 0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0521 1.9782 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5482 -2.2515 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 0.4023 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 -0.2096 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 -1.3234 -0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 11 2 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 M END > DB04889 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OFYVIGTWSQPCLF-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=C(C=C1)C12CC1CNC2 > InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3 > OFYVIGTWSQPCLF-UHFFFAOYSA-N > C12H15N > 173.2542 > 173.120449485 > 1 > 28 > 0.9997515463347496 > 20.700783166507648 > 1 > 1 > 0 > 1 > 1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane > 1.93 > 2.0597962919999997 > -3.00 > 0 > 1 > 3 > 1 > 10.604646676588363 > 12.03 > 54.30870000000001 > 1 > 1 > 1.72e-01 g/l > tetrahydrofolic acid > 1 $$$$