5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C66H48N12O3S3 — CID 157400818

IUPAC5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2c(n1)oc1ccncc12.Cc1ccc2c(n1)oc1cnccc12.Cc1ccc2c(n1)oc1ncccc12.Cc1ccc2c(n1)sc1cccnc12.Cc1ccc2c(n1)sc1ccncc12.Cc1ccc2c(n1)sc1cnccc12
InChIInChI=1S/3C11H8N2O.3C11H8N2S/c1-7-2-3-9-8-4-5-12-6-10(8)14-11(9)13-7;1-7-2-3-8-9-6-12-5-4-10(9)14-11(8)13-7;1-7-4-5-9-8-3-2-6-12-10(8)14-11(9)13-7;1-7-2-3-9-8-4-5-12-6-10(8)14-11(9)13-7;1-7-2-3-8-9-6-12-5-4-10(9)14-11(8)13-7;1-7-4-5-8-10-9(3-2-6-12-10)14-11(8)13-7/h6*2-6H,1H3
InChIKeyBNDDXZLKYFUKDF-UHFFFAOYSA-N
MW1153.39 g/mol
LogP17.51
Rot. Bonds

About 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157400818) has the molecular formula C66H48N12O3S3 and a molecular weight of 1153.39 g/mol. Its IUPAC name is 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157400818
Molecular FormulaC66H48N12O3S3
Molecular Weight1153.39 g/mol
Exact Mass1152.31
IUPAC Name5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2c(n1)oc1ccncc12.Cc1ccc2c(n1)oc1cnccc12.Cc1ccc2c(n1)oc1ncccc12.Cc1ccc2c(n1)sc1cccnc12.Cc1ccc2c(n1)sc1ccncc12.Cc1ccc2c(n1)sc1cnccc12
InChIInChI=1S/3C11H8N2O.3C11H8N2S/c1-7-2-3-9-8-4-5-12-6-10(8)14-11(9)13-7;1-7-2-3-8-9-6-12-5-4-10(9)14-11(8)13-7;1-7-4-5-9-8-3-2-6-12-10(8)14-11(9)13-7;1-7-2-3-9-8-4-5-12-6-10(8)14-11(9)13-7;1-7-2-3-8-9-6-12-5-4-10(9)14-11(8)13-7;1-7-4-5-8-10-9(3-2-6-12-10)14-11(8)13-7/h6*2-6H,1H3
InChIKeyBNDDXZLKYFUKDF-UHFFFAOYSA-N
XLogP17.51
TPSA194.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.39
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

1-[3-Amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;6-(4-ethylphenyl)-2-isocyano-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 167642916
1-[3-Amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 167692691
1-[3-Amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboximidamide;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;2-isocyano-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine;2-isocyano-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 167708174
7-[2-[5-[5-(1,3-Benzothiazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-7-yl]-2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole
CID 123482435
6-[2-[5-[3-[5-(1,3-Benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]-2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzoxazole
CID 123812009
4-[10-([1]Benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 130191527
5-(8-Oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 132111698
3-(8-Thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-12-(8-thia-4,6,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 138721774
6-([1]Benzothiolo[2,3-c]pyridin-6-yl)-12-(8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 138721776
12-(8-Oxa-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-11-yl)-4-(8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721915
12-(4,6,8,10-Tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)-4-(8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-6-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 138721916
6-[6-(8-Thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-12-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]-8-oxa-3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 138721918

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157400818) is 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ccc2c(n1)oc1ccncc12.Cc1ccc2c(n1)oc1cnccc12.Cc1ccc2c(n1)oc1ncccc12.Cc1ccc2c(n1)sc1cccnc12.Cc1ccc2c(n1)sc1ccncc12.Cc1ccc2c(n1)sc1cnccc12.
What is the InChIKey of 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is BNDDXZLKYFUKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H8N2O.3C11H8N2S/c1-7-2-3-9-8-4-5-12-6-10(8)14-11(9)13-7;1-7-2-3-8-9-6-12-5-4-10(9)14-11(8)13-7;1-7-4-5-9-8-3-2-6-12-10(8)14-11(9)13-7;1-7-2-3-9-8-4-5-12-6-10(8)14-11(9)13-7;1-7-2-3-8-9-6-12-5-4-10(9)14-11(8)13-7;1-7-4-5-8-10-9(3-2-6-12-10)14-11(8)13-7/h6*2-6H,1H3.
What are the key properties of 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1153.39 g/mol, XLogP of 17.51, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-methyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157400818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).