70633553 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 14 8 8 8 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 2 2 3 3 4 4 5 6 6 6 7 7 8 8 9 9 10 10 10 11 11 11 12 12 13 13 14 15 15 16 16 16 17 17 17 18 18 18 19 20 21 22 22 22 23 23 23 24 24 24 25 25 25 27 5 16 13 14 11 37 12 38 15 14 19 20 20 21 19 27 26 27 26 53 54 12 13 28 14 29 15 30 31 32 33 17 18 34 22 23 35 24 25 36 21 39 26 40 41 42 43 44 45 46 47 48 49 50 51 52 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 11 3 12 13 28 1 1 12 4 11 14 29 1 1 13 2 11 15 30 1 1 14 2 6 12 31 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 8.4752 5.9405 4.6844 3.4026 7.6651 4.6783 4.6783 2.866 2 2.866 4.9917 4.4026 5.9422 4.9889 6.7523 9.388 10.198 9.4908 3.732 5.2619 3.732 11.1109 10.0952 10.4036 8.6808 2.866 2 5.4309 4.122 6.4942 5.4266 7.0999 6.307 9.3243 10.2618 8.9248 5.1 3.0935 5.8819 10.8577 11.6768 11.364 10.7119 10.0315 9.4785 10.1505 10.9696 10.6568 8.3172 8.1786 9.0443 1.4631 2.3291 3.403 2.4822 0.7177 2.98 1.2221 1.8958 -0.5402 -2.1496 -0.3449 -1.8449 -3.3449 2.0284 1.2204 1.7177 0.4103 2.3041 2.0738 2.6602 1.0791 -0.8449 -1.3449 -1.8449 2.2519 3.6549 0.6708 0.4928 -2.3449 -0.8449 2.466 1.7733 1.4353 -0.0288 2.8175 2.7355 2.6906 2.0435 1.3323 3.44 1.7596 -1.3449 1.6859 1.9988 2.8179 3.7187 4.2716 3.5912 0.1049 0.4177 1.2368 0.995 0.1292 -0.0095 -0.5349 -3.6549 -3.6549 8 8 8 8 8 8 8 8 6 5 5 3 8 8 6 6 7 7 8 8 9 9 11 12 13 14 19 21 19 20 20 21 19 27 26 27 3 4 15 6 21 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 480 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB8080000000000000000000000000001624000002C000000000000005801F800001E10100840000D1CE1B70647F0BF4C1600A0010661640080802D1110A001502028541083580240C8401E44080F0002D30020F030020C00000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H27N5O4Si/c1-8(2)14(9(3)4)27-25-5-10-12(23)13(24)17(26-10)22-7-21-11-15(18)19-6-20-16(11)22/h6-10,12-14,17,23-24H,5H2,1-4H3,(H2,18,19,20)/t10-,12-,13+,17?/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XLDCLQJMGPAROL-XODPVKTHSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 393.18323089 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H27N5O4Si Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 393.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C(C(C)C)[Si]OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C(C(C)C)[Si]OC[C@@H]1[C@H]([C@@H](C(O1)N2C=NC3=C(N=CN=C32)N)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 129 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 393.18323089 27 4 3 1 0 0 0 0 1 -1