119570 -OEChem-10051719143D 31 32 0 1 0 0 0 0 0999 V2000 2.1475 -1.7905 0.2306 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4493 0.7892 0.2615 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1645 0.5539 -0.2003 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 -1.2200 -0.0996 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0611 0.7445 -0.1934 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3052 2.0062 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3897 -0.5500 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 2.0319 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -0.4612 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 0.7015 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1909 -0.3614 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6539 -0.2824 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 -0.7190 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4852 -1.4428 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 0.7466 -1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 2.0345 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 2.9154 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -1.4258 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -0.7011 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 2.7972 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1496 2.3064 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 1.6491 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8022 -1.2995 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1355 -0.4150 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0963 0.6545 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7243 -0.2665 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4719 -1.4659 -1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1012 -2.3990 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5253 -1.3446 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5315 -0.6241 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9143 -2.2097 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 10 1 0 0 0 0 3 13 2 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M END > DB00413 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FASDKYOPVNHBLU-ZETCQYMHSA-N/SDF?record_type=3d > CCCN[C@H]1CCC2=C(C1)SC(N)=N2 > InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1 > FASDKYOPVNHBLU-ZETCQYMHSA-N > C10H17N3S > 211.327 > 211.114318249 > 3 > 31 > 1.008576229276255 > 24.46869561564897 > 1 > 2 > 0 > 1 > (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine > 2.18 > 1.7642826546666668 > -3.18 > 0 > 1 > 2 > 1 > 17.661047871514864 > 10.310439610499934 > 50.94 > 59.7672 > 3 > 1 > 1.40e-01 g/l > biotin > 0 $$$$