10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

C108H60N6O3 — CID 163891075

IUPAC10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5c6cccc7c8ccccc8n(c5ccc43)c76)ccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)ccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c6ccccc6n5c43)ccc12
InChIInChI=1S/3C36H20N2O/c1-5-13-28-22(9-1)27-20-31-34(35-26-12-3-7-15-30(26)38(28)36(27)35)25-11-2-6-14-29(25)37(31)21-17-18-24-23-10-4-8-16-32(23)39-33(24)19-21;1-5-14-31-22(8-1)26-11-7-12-27-29-20-32-28(19-33(29)38(31)36(26)27)23-9-2-4-13-30(23)37(32)21-16-17-25-24-10-3-6-15-34(24)39-35(25)18-21;1-4-13-28-22(8-1)25-11-7-12-27-35-31(38(28)36(25)27)19-18-30-34(35)26-10-2-5-14-29(26)37(30)21-16-17-24-23-9-3-6-15-32(23)39-33(24)20-21/h3*1-20H
InChIKeyQBPFTRJKJUKSKF-UHFFFAOYSA-N
MW1489.71 g/mol
LogP29.50
Rot. Bonds3

About 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (PubChem CID 163891075) has the molecular formula C108H60N6O3 and a molecular weight of 1489.71 g/mol. Its IUPAC name is 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.

Molecular Properties

Compound Name10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
PubChem CID163891075
Molecular FormulaC108H60N6O3
Molecular Weight1489.71 g/mol
Exact Mass1488.47
IUPAC Name10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5c6cccc7c8ccccc8n(c5ccc43)c76)ccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)ccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c6ccccc6n5c43)ccc12
InChIInChI=1S/3C36H20N2O/c1-5-13-28-22(9-1)27-20-31-34(35-26-12-3-7-15-30(26)38(28)36(27)35)25-11-2-6-14-29(25)37(31)21-17-18-24-23-10-4-8-16-32(23)39-33(24)19-21;1-5-14-31-22(8-1)26-11-7-12-27-29-20-32-28(19-33(29)38(31)36(26)27)23-9-2-4-13-30(23)37(32)21-16-17-25-24-10-3-6-15-34(24)39-35(25)18-21;1-4-13-28-22(8-1)25-11-7-12-27-35-31(38(28)36(25)27)19-18-30-34(35)26-10-2-5-14-29(26)37(30)21-16-17-24-23-9-3-6-15-32(23)39-33(24)20-21/h3*1-20H
InChIKeyQBPFTRJKJUKSKF-UHFFFAOYSA-N
XLogP29.50
TPSA67.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001489.71
LogP ≤ 529.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene with MolForge

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Related Compounds

11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 122594983
5-(9-dibenzofuran-3-ylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122594946
4-dibenzofuran-3-yl-4,19-diazaoctacyclo[17.10.1.02,18.03,15.05,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),5(14),6,8,10,12,16,20,22,24,26(30),27-tetradecaene
CID 122594922
14-phenyl-5,14,27,41-tetrazapentadecacyclo[25.22.1.15,19.130,34.02,26.04,24.06,18.07,15.08,13.028,45.029,42.035,40.046,50.023,52.041,51]dopentaconta-1(49),2,4(24),6(18),7(15),8,10,12,16,19(52),20,22,25,28(45),29(42),30,32,34(51),35,37,39,43,46(50),47-tetracosaene
CID 155308708
12-phenyl-26-oxa-2,12,21-triazaundecacyclo[19.17.1.12,16.03,15.05,13.06,11.022,34.025,33.027,32.035,39.020,40]tetraconta-1(38),3(15),4,6,8,10,13,16(40),17,19,22(34),23,25(33),27,29,31,35(39),36-octadecaene
CID 171595274
11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene
CID 177285210
9,15-diphenyl-9,15,26,30-tetrazatridecacyclo[24.18.1.130,37.02,10.03,8.012,45.013,25.014,22.016,21.027,44.029,42.031,36.041,46]hexatetraconta-1(45),2(10),3,5,7,11,13(25),14(22),16,18,20,23,27(44),28,31,33,35,37(46),38,40,42-henicosaene;12,23-diphenyl-1,12,23,41-tetrazatridecacyclo[24.18.1.130,34.02,14.05,13.06,11.015,45.016,24.017,22.027,44.029,42.035,40.041,46]hexatetraconta-2(14),3,5(13),6,8,10,15(45),16(24),17,19,21,25,27(44),28,30,32,34(46),35,37,39,42-henicosaene;13,38-diphenyl-13,23,27,38-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,28(40),29,31(39),32,34,36,41,43-henicosaene;16,30-diphenyl-1,5,16,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.029,37.031,36.038,45.039,44.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27,29(37),31,33,35,38(45),39,41,43-henicosaene;16,34-diphenyl-1,5,16,34-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.031,45.032,44.033,41.035,40.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27(45),28,30,32(44),33(41),35,37,39,42-henicosaene
CID 163902636
9-phenyl-31-[3-[3-(42-phenyl-5,20,27,42-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaen-20-yl)phenyl]phenyl]-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene
CID 167304313
9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene
CID 159455826
4-(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422803
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
10-phenyl-34-oxa-1,10,20-triazaundecacyclo[19.17.1.12,13.03,11.04,9.014,19.025,39.026,38.027,35.028,33.020,40]tetraconta-2(40),3(11),4,6,8,12,14,16,18,21,23,25(39),26(38),27(35),28,30,32,36-octadecaene
CID 171595288

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The IUPAC name of 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (CID 163891075) is 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.
What is the SMILES notation for 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The canonical SMILES for 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5c6cccc7c8ccccc8n(c5ccc43)c76)ccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)ccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c6ccccc6n5c43)ccc12.
What is the InChIKey of 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The InChIKey is QBPFTRJKJUKSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H20N2O/c1-5-13-28-22(9-1)27-20-31-34(35-26-12-3-7-15-30(26)38(28)36(27)35)25-11-2-6-14-29(25)37(31)21-17-18-24-23-10-4-8-16-32(23)39-33(24)19-21;1-5-14-31-22(8-1)26-11-7-12-27-29-20-32-28(19-33(29)38(31)36(26)27)23-9-2-4-13-30(23)37(32)21-16-17-25-24-10-3-6-15-34(24)39-35(25)18-21;1-4-13-28-22(8-1)25-11-7-12-27-35-31(38(28)36(25)27)19-18-30-34(35)26-10-2-5-14-29(26)37(30)21-16-17-24-23-9-3-6-15-32(23)39-33(24)20-21/h3*1-20H.
What are the key properties of 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene has a molecular weight of 1489.71 g/mol, XLogP of 29.50, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is sourced from PubChem (CID 163891075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).