5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one

C133H132N34O12 — CID 164956178

IUPAC5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one
SMILESCN1CCC(=O)N(C)c2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.CN1CCC(=O)Nc2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.CN1CCCC(=O)N(C)c2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.CN1CCCC(=O)Nc2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.Nc1ncc2nc1C(=O)Nc1ccccc1N1CCC(CCOc3cccc-2c3)C1.Nc1ncc2nc1C(=O)Nc1ccccc1N1CCC(COc3cccc-2c3)C1
InChIInChI=1S/C23H24N6O2.C23H23N5O2.2C22H22N6O2.C22H21N5O2.C21H20N6O2/c1-28-12-6-11-20(30)29(2)16-8-5-7-15(13-16)18-14-25-22(24)21(26-18)23(31)27-17-9-3-4-10-19(17)28;24-22-21-23(29)27-18-6-1-2-7-20(18)28-10-8-15(14-28)9-11-30-17-5-3-4-16(12-17)19(26-21)13-25-22;1-27-11-10-19(29)28(2)15-7-5-6-14(12-15)17-13-24-21(23)20(25-17)22(30)26-16-8-3-4-9-18(16)27;1-28-11-5-10-19(29)25-15-7-4-6-14(12-15)17-13-24-21(23)20(26-17)22(30)27-16-8-2-3-9-18(16)28;23-21-20-22(28)26-17-6-1-2-7-19(17)27-9-8-14(12-27)13-29-16-5-3-4-15(10-16)18(25-20)11-24-21;1-27-10-9-18(28)24-14-6-4-5-13(11-14)16-12-23-20(22)19(25-16)21(29)26-15-7-2-3-8-17(15)27/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H2,24,25)(H,27,31);1-7,12-13,15H,8-11,14H2,(H2,24,25)(H,27,29);3-9,12-13H,10-11H2,1-2H3,(H2,23,24)(H,26,30);2-4,6-9,12-13H,5,10-11H2,1H3,(H2,23,24)(H,25,29)(H,27,30);1-7,10-11,14H,8-9,12-13H2,(H2,23,24)(H,26,28);2-8,11-12H,9-10H2,1H3,(H2,22,23)(H,24,28)(H,26,29)
InChIKeyBEWONZRVOHDRAH-UHFFFAOYSA-N
MW2398.74 g/mol
LogP18.64
Rot. Bonds

About 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one

5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one (PubChem CID 164956178) has the molecular formula C133H132N34O12 and a molecular weight of 2398.74 g/mol. Its IUPAC name is 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one.

Molecular Properties

Compound Name5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one
PubChem CID164956178
Molecular FormulaC133H132N34O12
Molecular Weight2398.74 g/mol
Exact Mass2397.08
IUPAC Name5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one
SMILESCN1CCC(=O)N(C)c2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.CN1CCC(=O)Nc2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.CN1CCCC(=O)N(C)c2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.CN1CCCC(=O)Nc2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.Nc1ncc2nc1C(=O)Nc1ccccc1N1CCC(CCOc3cccc-2c3)C1.Nc1ncc2nc1C(=O)Nc1ccccc1N1CCC(COc3cccc-2c3)C1
InChIInChI=1S/C23H24N6O2.C23H23N5O2.2C22H22N6O2.C22H21N5O2.C21H20N6O2/c1-28-12-6-11-20(30)29(2)16-8-5-7-15(13-16)18-14-25-22(24)21(26-18)23(31)27-17-9-3-4-10-19(17)28;24-22-21-23(29)27-18-6-1-2-7-20(18)28-10-8-15(14-28)9-11-30-17-5-3-4-16(12-17)19(26-21)13-25-22;1-27-11-10-19(29)28(2)15-7-5-6-14(12-15)17-13-24-21(23)20(25-17)22(30)26-16-8-3-4-9-18(16)27;1-28-11-5-10-19(29)25-15-7-4-6-14(12-15)17-13-24-21(23)20(26-17)22(30)27-16-8-2-3-9-18(16)28;23-21-20-22(28)26-17-6-1-2-7-19(17)27-9-8-14(12-27)13-29-16-5-3-4-15(10-16)18(25-20)11-24-21;1-27-10-9-18(28)24-14-6-4-5-13(11-14)16-12-23-20(22)19(25-16)21(29)26-15-7-2-3-8-17(15)27/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H2,24,25)(H,27,31);1-7,12-13,15H,8-11,14H2,(H2,24,25)(H,27,29);3-9,12-13H,10-11H2,1-2H3,(H2,23,24)(H,26,30);2-4,6-9,12-13H,5,10-11H2,1H3,(H2,23,24)(H,25,29)(H,27,30);1-7,10-11,14H,8-9,12-13H2,(H2,23,24)(H,26,28);2-8,11-12H,9-10H2,1H3,(H2,22,23)(H,24,28)(H,26,29)
InChIKeyBEWONZRVOHDRAH-UHFFFAOYSA-N
XLogP18.64
TPSA622.12 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002398.74
LogP ≤ 518.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one?
The IUPAC name of 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one (CID 164956178) is 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one.
What is the SMILES notation for 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one?
The canonical SMILES for 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one is CN1CCC(=O)N(C)c2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.CN1CCC(=O)Nc2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.CN1CCCC(=O)N(C)c2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.CN1CCCC(=O)Nc2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.Nc1ncc2nc1C(=O)Nc1ccccc1N1CCC(CCOc3cccc-2c3)C1.Nc1ncc2nc1C(=O)Nc1ccccc1N1CCC(COc3cccc-2c3)C1.
What is the InChIKey of 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one?
The InChIKey is BEWONZRVOHDRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.C23H23N5O2.2C22H22N6O2.C22H21N5O2.C21H20N6O2/c1-28-12-6-11-20(30)29(2)16-8-5-7-15(13-16)18-14-25-22(24)21(26-18)23(31)27-17-9-3-4-10-19(17)28;24-22-21-23(29)27-18-6-1-2-7-20(18)28-10-8-15(14-28)9-11-30-17-5-3-4-16(12-17)19(26-21)13-25-22;1-27-11-10-19(29)28(2)15-7-5-6-14(12-15)17-13-24-21(23)20(25-17)22(30)26-16-8-3-4-9-18(16)27;1-28-11-5-10-19(29)25-15-7-4-6-14(12-15)17-13-24-21(23)20(26-17)22(30)27-16-8-2-3-9-18(16)28;23-21-20-22(28)26-17-6-1-2-7-19(17)27-9-8-14(12-27)13-29-16-5-3-4-15(10-16)18(25-20)11-24-21;1-27-10-9-18(28)24-14-6-4-5-13(11-14)16-12-23-20(22)19(25-16)21(29)26-15-7-2-3-8-17(15)27/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H2,24,25)(H,27,31);1-7,12-13,15H,8-11,14H2,(H2,24,25)(H,27,29);3-9,12-13H,10-11H2,1-2H3,(H2,23,24)(H,26,30);2-4,6-9,12-13H,5,10-11H2,1H3,(H2,23,24)(H,25,29)(H,27,30);1-7,10-11,14H,8-9,12-13H2,(H2,23,24)(H,26,28);2-8,11-12H,9-10H2,1H3,(H2,22,23)(H,24,28)(H,26,29).
What are the key properties of 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one?
5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one has a molecular weight of 2398.74 g/mol, XLogP of 18.64, 0 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-15,20-dimethyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15,19-dimethyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;5-amino-15-methyl-4,8,15,20,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,19-dione;5-amino-15-methyl-4,8,15,19,25-pentazatetracyclo[18.3.1.12,6.09,14]pentacosa-1(24),2,4,6(25),9,11,13,20,22-nonaene-7,18-dione;22-amino-7-oxa-12,19,23,25-tetrazapentacyclo[19.3.1.12,6.19,12.013,18]heptacosa-1(24),2(27),3,5,13,15,17,21(25),22-nonaen-20-one;5-amino-21-oxa-4,8,15,28-tetrazapentacyclo[20.3.1.12,6.115,18.09,14]octacosa-1(26),2,4,6(28),9,11,13,22,24-nonaen-7-one is sourced from PubChem (CID 164956178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).