(16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone

C130H143FN24O10 — CID 157419554

IUPAC(16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone
SMILESC1=C\CN(C2CC2)Cc2cc(ccc2OCCN2CCOCC2)Nc2nccc(n2)-c2cccc(c2)OCC/1.CC(C)NCC(=O)N1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.CN1C/C=C\CCOc2cc(F)cc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.CN1C/C=C\CCOc2cc(ccc2N)-c2ccnc(n2)Nc2cccc(c2)C1.O=C(N1CCOCC1)N1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc1c2
InChIInChI=1S/C31H37N5O3.C27H31N5O2.C26H27N5O3.C23H23FN4O.C23H25N5O/c1-2-13-36(27-8-9-27)23-25-21-26(7-10-30(25)39-20-16-35-14-18-37-19-15-35)33-31-32-12-11-29(34-31)24-5-4-6-28(22-24)38-17-3-1;1-20(2)29-18-26(33)32-14-4-3-5-15-34-24-11-7-9-22(17-24)25-12-13-28-27(31-25)30-23-10-6-8-21(16-23)19-32;32-26(30-13-16-33-17-14-30)31-12-2-1-3-15-34-23-9-4-6-20(18-23)24-10-11-27-25(29-24)28-21-7-5-8-22(31)19-21;1-28-10-3-2-4-11-29-21-14-18(13-19(24)15-21)22-8-9-25-23(27-22)26-20-7-5-6-17(12-20)16-28;1-28-12-3-2-4-13-29-22-15-18(8-9-20(22)24)21-10-11-25-23(27-21)26-19-7-5-6-17(14-19)16-28/h1-2,4-7,10-12,21-22,27H,3,8-9,13-20,23H2,(H,32,33,34);3-4,6-13,16-17,20,29H,5,14-15,18-19H2,1-2H3,(H,28,30,31);1-2,4-11,18-19H,3,12-17H2,(H,27,28,29);2-3,5-9,12-15H,4,10-11,16H2,1H3,(H,25,26,27);2-3,5-11,14-15H,4,12-13,16,24H2,1H3,(H,25,26,27)/b2-1-;4-3-;2-1-;2*3-2-
InChIKeyBPGAJIDMLCNQIF-WOUKBNORSA-N
MW2220.73 g/mol
LogP22.98
Rot. Bonds8

About (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone

(16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone (PubChem CID 157419554) has the molecular formula C130H143FN24O10 and a molecular weight of 2220.73 g/mol. Its IUPAC name is (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name(16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone
PubChem CID157419554
Molecular FormulaC130H143FN24O10
Molecular Weight2220.73 g/mol
Exact Mass2219.14
IUPAC Name(16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone
SMILESC1=C\CN(C2CC2)Cc2cc(ccc2OCCN2CCOCC2)Nc2nccc(n2)-c2cccc(c2)OCC/1.CC(C)NCC(=O)N1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.CN1C/C=C\CCOc2cc(F)cc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.CN1C/C=C\CCOc2cc(ccc2N)-c2ccnc(n2)Nc2cccc(c2)C1.O=C(N1CCOCC1)N1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc1c2
InChIInChI=1S/C31H37N5O3.C27H31N5O2.C26H27N5O3.C23H23FN4O.C23H25N5O/c1-2-13-36(27-8-9-27)23-25-21-26(7-10-30(25)39-20-16-35-14-18-37-19-15-35)33-31-32-12-11-29(34-31)24-5-4-6-28(22-24)38-17-3-1;1-20(2)29-18-26(33)32-14-4-3-5-15-34-24-11-7-9-22(17-24)25-12-13-28-27(31-25)30-23-10-6-8-21(16-23)19-32;32-26(30-13-16-33-17-14-30)31-12-2-1-3-15-34-23-9-4-6-20(18-23)24-10-11-27-25(29-24)28-21-7-5-8-22(31)19-21;1-28-10-3-2-4-11-29-21-14-18(13-19(24)15-21)22-8-9-25-23(27-22)26-20-7-5-6-17(12-20)16-28;1-28-12-3-2-4-13-29-22-15-18(8-9-20(22)24)21-10-11-25-23(27-21)26-19-7-5-6-17(14-19)16-28/h1-2,4-7,10-12,21-22,27H,3,8-9,13-20,23H2,(H,32,33,34);3-4,6-13,16-17,20,29H,5,14-15,18-19H2,1-2H3,(H,28,30,31);1-2,4-11,18-19H,3,12-17H2,(H,27,28,29);2-3,5-9,12-15H,4,10-11,16H2,1H3,(H,25,26,27);2-3,5-11,14-15H,4,12-13,16,24H2,1H3,(H,25,26,27)/b2-1-;4-3-;2-1-;2*3-2-
InChIKeyBPGAJIDMLCNQIF-WOUKBNORSA-N
XLogP22.98
TPSA357.76 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds8
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002220.73
LogP ≤ 522.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone?
The IUPAC name of (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone (CID 157419554) is (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone?
The canonical SMILES for (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone is C1=C\CN(C2CC2)Cc2cc(ccc2OCCN2CCOCC2)Nc2nccc(n2)-c2cccc(c2)OCC/1.CC(C)NCC(=O)N1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.CN1C/C=C\CCOc2cc(F)cc(c2)-c2ccnc(n2)Nc2cccc(c2)C1.CN1C/C=C\CCOc2cc(ccc2N)-c2ccnc(n2)Nc2cccc(c2)C1.O=C(N1CCOCC1)N1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc1c2.
What is the InChIKey of (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone?
The InChIKey is BPGAJIDMLCNQIF-WOUKBNORSA-N. The full InChI is InChI=1S/C31H37N5O3.C27H31N5O2.C26H27N5O3.C23H23FN4O.C23H25N5O/c1-2-13-36(27-8-9-27)23-25-21-26(7-10-30(25)39-20-16-35-14-18-37-19-15-35)33-31-32-12-11-29(34-31)24-5-4-6-28(22-24)38-17-3-1;1-20(2)29-18-26(33)32-14-4-3-5-15-34-24-11-7-9-22(17-24)25-12-13-28-27(31-25)30-23-10-6-8-21(16-23)19-32;32-26(30-13-16-33-17-14-30)31-12-2-1-3-15-34-23-9-4-6-20(18-23)24-10-11-27-25(29-24)28-21-7-5-8-22(31)19-21;1-28-10-3-2-4-11-29-21-14-18(13-19(24)15-21)22-8-9-25-23(27-22)26-20-7-5-6-17(12-20)16-28;1-28-12-3-2-4-13-29-22-15-18(8-9-20(22)24)21-10-11-25-23(27-21)26-19-7-5-6-17(14-19)16-28/h1-2,4-7,10-12,21-22,27H,3,8-9,13-20,23H2,(H,32,33,34);3-4,6-13,16-17,20,29H,5,14-15,18-19H2,1-2H3,(H,28,30,31);1-2,4-11,18-19H,3,12-17H2,(H,27,28,29);2-3,5-9,12-15H,4,10-11,16H2,1H3,(H,25,26,27);2-3,5-11,14-15H,4,12-13,16,24H2,1H3,(H,25,26,27)/b2-1-;4-3-;2-1-;2*3-2-.
What are the key properties of (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone?
(16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone has a molecular weight of 2220.73 g/mol, XLogP of 22.98, 8 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (16E)-14-cyclopropyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-22-amine;morpholin-4-yl-[(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaen-13-yl]methanone;1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 157419554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).