32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene

C132H69N9O6 — CID 163697269

IUPAC32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene
SMILESc1ccc(-c2nc(-n3c4ccc5oc6cccc7c8ccccc8c8cc9c%10ccccc%10oc9c3c8c4c5c67)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cccc5c6cc7c(cc6c6cccc8oc9ccc3c(c9c86)c54)oc3ccccc37)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cccc5c6ccccc6c6cc7oc8ccccc8c7c7oc8ccc3c(c8c67)c54)nc3ccccc23)cc1
InChIInChI=1S/3C44H23N3O2/c1-2-10-24(11-3-1)43-28-13-4-6-16-32(28)45-44(46-43)47-33-17-8-14-26-29-22-31-25-12-5-7-18-35(25)48-38(31)23-30(29)27-15-9-19-36-40(27)42-37(49-36)21-20-34(47)41(42)39(26)33;1-2-11-24(12-3-1)41-29-16-6-8-18-32(29)45-44(46-41)47-33-21-22-36-40-37-28(17-10-20-35(37)48-36)25-13-4-5-14-26(25)30-23-31-27-15-7-9-19-34(27)49-43(31)42(47)38(30)39(33)40;1-2-11-24(12-3-1)42-28-15-6-8-18-31(28)45-44(46-42)47-32-19-10-17-27-25-13-4-5-14-26(25)30-23-36-38(29-16-7-9-20-34(29)48-36)43-39(30)41-35(49-43)22-21-33(47)40(41)37(27)32/h3*1-23H/b29-26-,30-27-;28-25-,30-26-;27-25-,30-26-
InChIKeyJXYSCLSKDKOUIJ-BHPVWWRTSA-N
MW1877.06 g/mol
LogP35.81
Rot. Bonds6

About 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene

32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene (PubChem CID 163697269) has the molecular formula C132H69N9O6 and a molecular weight of 1877.06 g/mol. Its IUPAC name is 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene.

Molecular Properties

Compound Name32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene
PubChem CID163697269
Molecular FormulaC132H69N9O6
Molecular Weight1877.06 g/mol
Exact Mass1875.54
IUPAC Name32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene
SMILESc1ccc(-c2nc(-n3c4ccc5oc6cccc7c8ccccc8c8cc9c%10ccccc%10oc9c3c8c4c5c67)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cccc5c6cc7c(cc6c6cccc8oc9ccc3c(c9c86)c54)oc3ccccc37)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cccc5c6ccccc6c6cc7oc8ccccc8c7c7oc8ccc3c(c8c67)c54)nc3ccccc23)cc1
InChIInChI=1S/3C44H23N3O2/c1-2-10-24(11-3-1)43-28-13-4-6-16-32(28)45-44(46-43)47-33-17-8-14-26-29-22-31-25-12-5-7-18-35(25)48-38(31)23-30(29)27-15-9-19-36-40(27)42-37(49-36)21-20-34(47)41(42)39(26)33;1-2-11-24(12-3-1)41-29-16-6-8-18-32(29)45-44(46-41)47-33-21-22-36-40-37-28(17-10-20-35(37)48-36)25-13-4-5-14-26(25)30-23-31-27-15-7-9-19-34(27)49-43(31)42(47)38(30)39(33)40;1-2-11-24(12-3-1)42-28-15-6-8-18-31(28)45-44(46-42)47-32-19-10-17-27-25-13-4-5-14-26(25)30-23-36-38(29-16-7-9-20-34(29)48-36)43-39(30)41-35(49-43)22-21-33(47)40(41)37(27)32/h3*1-23H/b29-26-,30-27-;28-25-,30-26-;27-25-,30-26-
InChIKeyJXYSCLSKDKOUIJ-BHPVWWRTSA-N
XLogP35.81
TPSA170.97 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.06
LogP ≤ 535.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene with MolForge

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Related Compounds

32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene
CID 163458578
12-[4-(3-phenylphenyl)quinazolin-2-yl]-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359241
9-(4-dibenzofuran-2-ylquinazolin-2-yl)-28-phenyl-12-oxa-9,28-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,29.022,27]hentriaconta-1,3,5,7,10,13,15,17,19,21(29),22,24,26,30-tetradecaene
CID 146610254
18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672656
9-[4-(4-dibenzofuran-2-ylphenyl)quinazolin-2-yl]-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634606
5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252440
20-phenyl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129292575
21-dibenzofuran-3-yl-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335501
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126678269
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
9-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149709

Frequently Asked Questions

What is the IUPAC name of 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene?
The IUPAC name of 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene (CID 163697269) is 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene.
What is the SMILES notation for 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene?
The canonical SMILES for 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene is c1ccc(-c2nc(-n3c4ccc5oc6cccc7c8ccccc8c8cc9c%10ccccc%10oc9c3c8c4c5c67)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cccc5c6cc7c(cc6c6cccc8oc9ccc3c(c9c86)c54)oc3ccccc37)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cccc5c6ccccc6c6cc7oc8ccccc8c7c7oc8ccc3c(c8c67)c54)nc3ccccc23)cc1.
What is the InChIKey of 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene?
The InChIKey is JXYSCLSKDKOUIJ-BHPVWWRTSA-N. The full InChI is InChI=1S/3C44H23N3O2/c1-2-10-24(11-3-1)43-28-13-4-6-16-32(28)45-44(46-43)47-33-17-8-14-26-29-22-31-25-12-5-7-18-35(25)48-38(31)23-30(29)27-15-9-19-36-40(27)42-37(49-36)21-20-34(47)41(42)39(26)33;1-2-11-24(12-3-1)41-29-16-6-8-18-32(29)45-44(46-41)47-33-21-22-36-40-37-28(17-10-20-35(37)48-36)25-13-4-5-14-26(25)30-23-31-27-15-7-9-19-34(27)49-43(31)42(47)38(30)39(33)40;1-2-11-24(12-3-1)42-28-15-6-8-18-31(28)45-44(46-42)47-32-19-10-17-27-25-13-4-5-14-26(25)30-23-36-38(29-16-7-9-20-34(29)48-36)43-39(30)41-35(49-43)22-21-33(47)40(41)37(27)32/h3*1-23H/b29-26-,30-27-;28-25-,30-26-;27-25-,30-26-.
What are the key properties of 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene?
32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene has a molecular weight of 1877.06 g/mol, XLogP of 35.81, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 32-(4-phenylquinazolin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-9,32-dioxa-33-azanonacyclo[27.2.1.123,26.02,10.03,8.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),3,5,7,11,13,15,17,19(24),20,22,25,27,29-pentadecaene;33-(4-phenylquinazolin-2-yl)-21,32-dioxa-33-azanonacyclo[27.2.1.14,7.05,31.06,11.012,24.014,22.015,20.025,30]tritriaconta-1(31),2,4,6(11),7,9,12(24),13,15,17,19,22,25(30),26,28-pentadecaene is sourced from PubChem (CID 163697269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).