Ketcher 01131616242D 1 1.00000 0.00000 0 36 41 0 0 0 999 V2000 4.3458 -8.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -9.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -10.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0788 -9.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0788 -8.8049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -8.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9585 -8.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8199 -8.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 -8.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 -7.2931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8249 -6.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9585 -7.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5566 -6.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4228 -7.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2891 -6.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2890 -5.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4229 -5.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5565 -5.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6899 -5.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8239 -5.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1556 -7.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0220 -6.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0219 -5.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1554 -5.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9736 -7.0988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5616 -6.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9733 -5.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5566 -6.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9634 -5.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3752 -4.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3802 -4.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9484 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9149 -5.0579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1552 -4.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6401 -8.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6266 -8.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 7 12 1 0 0 0 10 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 13 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 15 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 16 24 1 0 0 0 22 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 23 27 1 0 0 0 26 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 27 31 2 0 0 0 29 32 1 0 0 0 32 33 3 0 0 0 24 34 2 0 0 0 21 35 1 0 0 0 21 36 1 0 0 0 M END > CHEBI:90936 > alectinib > An organic heterotetracyclic compound that is 6,6-dimethyl-5,6-dihydro-11H-benzo[b]carbazol-11-one carrying additional cyano, 4-(morpholin-4-yl)piperidin-1-yl and ethyl substituents at positions 3, 8 and 9 respectively. Used (as the hydrochloride salt) for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer. > 3 > CH5424802; CH 5424802; AF-802; AF 802 > 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile > alectinib > C30H34N4O2 > 482.618 > 482.26818 > 0 > C1OCCN(C1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(C5=C(C4(C)C)NC=6C5=CC=C(C6)C#N)=O > InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3 > KDGFLJKFZUIJMX-UHFFFAOYSA-N > 1256580-46-7 > 22302431 > 1256580-46-7 > D10542 > LSM-1202 > EMH > Alectinib > 24736079; 24887559; 25205428; 25228534; 25349307; 25398579; 25428710; 25502629; 25526238; 25556163; 25678258; 25736571; 25876560; 26464158; 26487585; 26579422; 26682573; 26739884; 26751586; 26752591; 26753004 $$$$