N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate

C128H226F3N17O20S7 — CID 159820942

IUPACN-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate
SMILESCC(C)(C)Oc1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)Oc1ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccccn2)CC1.CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(C(F)(F)F)cn1.CC(C)S.CC(C)SNCCCCCNc1ccc(OC2CCOCC2)cc1.Cc1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)nc1.NC1CCC(CNc2ccc(OC3CCOCC3)cc2)CC1.O.O.O.O
InChIInChI=1S/C21H36N2O3S.C19H34N2O3S.C19H32N2O2S.C18H28N2O2.C17H29N3O2S.C16H27N3O2S.C15H24F3N3O2S.C3H8S.4H2O/c1-20(2,3)26-19-13-11-17(12-14-19)22-15-16-7-9-18(10-8-16)23-27(24,25)21(4,5)6;1-18(2,3)24-17-12-10-16(11-13-17)20-14-8-7-9-15-21-25(22,23)19(4,5)6;1-16(2)24-21-13-5-3-4-12-20-17-6-8-18(9-7-17)23-19-10-14-22-15-11-19;19-15-3-1-14(2-4-15)13-20-16-5-7-17(8-6-16)22-18-9-11-21-12-10-18;1-13-5-10-16(18-11-13)19-12-14-6-8-15(9-7-14)20-23(21,22)17(2,3)4;1-16(2,3)22(20,21)19-14-9-7-13(8-10-14)12-18-15-6-4-5-11-17-15;1-14(2,3)24(22,23)21-10-6-4-5-9-19-13-8-7-12(11-20-13)15(16,17)18;1-3(2)4;;;;/h11-14,16,18,22-23H,7-10,15H2,1-6H3;10-13,20-21H,7-9,14-15H2,1-6H3;6-9,16,19-21H,3-5,10-15H2,1-2H3;5-8,14-15,18,20H,1-4,9-13,19H2;5,10-11,14-15,20H,6-9,12H2,1-4H3,(H,18,19);4-6,11,13-14,19H,7-10,12H2,1-3H3,(H,17,18);7-8,11,21H,4-6,9-10H2,1-3H3,(H,19,20);3-4H,1-2H3;4*1H2
InChIKeyWJZOCSRCOSQPCB-UHFFFAOYSA-N
MW2604.78 g/mol
LogP23.64
Rot. Bonds49

About N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate

N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate (PubChem CID 159820942) has the molecular formula C128H226F3N17O20S7 and a molecular weight of 2604.78 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate
PubChem CID159820942
Molecular FormulaC128H226F3N17O20S7
Molecular Weight2604.78 g/mol
Exact Mass2602.52
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate
SMILESCC(C)(C)Oc1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)Oc1ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccccn2)CC1.CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(C(F)(F)F)cn1.CC(C)S.CC(C)SNCCCCCNc1ccc(OC2CCOCC2)cc1.Cc1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)nc1.NC1CCC(CNc2ccc(OC3CCOCC3)cc2)CC1.O.O.O.O
InChIInChI=1S/C21H36N2O3S.C19H34N2O3S.C19H32N2O2S.C18H28N2O2.C17H29N3O2S.C16H27N3O2S.C15H24F3N3O2S.C3H8S.4H2O/c1-20(2,3)26-19-13-11-17(12-14-19)22-15-16-7-9-18(10-8-16)23-27(24,25)21(4,5)6;1-18(2,3)24-17-12-10-16(11-13-17)20-14-8-7-9-15-21-25(22,23)19(4,5)6;1-16(2)24-21-13-5-3-4-12-20-17-6-8-18(9-7-17)23-19-10-14-22-15-11-19;19-15-3-1-14(2-4-15)13-20-16-5-7-17(8-6-16)22-18-9-11-21-12-10-18;1-13-5-10-16(18-11-13)19-12-14-6-8-15(9-7-14)20-23(21,22)17(2,3)4;1-16(2,3)22(20,21)19-14-9-7-13(8-10-14)12-18-15-6-4-5-11-17-15;1-14(2,3)24(22,23)21-10-6-4-5-9-19-13-8-7-12(11-20-13)15(16,17)18;1-3(2)4;;;;/h11-14,16,18,22-23H,7-10,15H2,1-6H3;10-13,20-21H,7-9,14-15H2,1-6H3;6-9,16,19-21H,3-5,10-15H2,1-2H3;5-8,14-15,18,20H,1-4,9-13,19H2;5,10-11,14-15,20H,6-9,12H2,1-4H3,(H,18,19);4-6,11,13-14,19H,7-10,12H2,1-3H3,(H,17,18);7-8,11,21H,4-6,9-10H2,1-3H3,(H,19,20);3-4H,1-2H3;4*1H2
InChIKeyWJZOCSRCOSQPCB-UHFFFAOYSA-N
XLogP23.64
TPSA573.16 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds49
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002604.78
LogP ≤ 523.64
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate (CID 159820942) is N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate is CC(C)(C)Oc1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)Oc1ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccccn2)CC1.CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(C(F)(F)F)cn1.CC(C)S.CC(C)SNCCCCCNc1ccc(OC2CCOCC2)cc1.Cc1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)nc1.NC1CCC(CNc2ccc(OC3CCOCC3)cc2)CC1.O.O.O.O.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate?
The InChIKey is WJZOCSRCOSQPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3S.C19H34N2O3S.C19H32N2O2S.C18H28N2O2.C17H29N3O2S.C16H27N3O2S.C15H24F3N3O2S.C3H8S.4H2O/c1-20(2,3)26-19-13-11-17(12-14-19)22-15-16-7-9-18(10-8-16)23-27(24,25)21(4,5)6;1-18(2,3)24-17-12-10-16(11-13-17)20-14-8-7-9-15-21-25(22,23)19(4,5)6;1-16(2)24-21-13-5-3-4-12-20-17-6-8-18(9-7-17)23-19-10-14-22-15-11-19;19-15-3-1-14(2-4-15)13-20-16-5-7-17(8-6-16)22-18-9-11-21-12-10-18;1-13-5-10-16(18-11-13)19-12-14-6-8-15(9-7-14)20-23(21,22)17(2,3)4;1-16(2,3)22(20,21)19-14-9-7-13(8-10-14)12-18-15-6-4-5-11-17-15;1-14(2,3)24(22,23)21-10-6-4-5-9-19-13-8-7-12(11-20-13)15(16,17)18;1-3(2)4;;;;/h11-14,16,18,22-23H,7-10,15H2,1-6H3;10-13,20-21H,7-9,14-15H2,1-6H3;6-9,16,19-21H,3-5,10-15H2,1-2H3;5-8,14-15,18,20H,1-4,9-13,19H2;5,10-11,14-15,20H,6-9,12H2,1-4H3,(H,18,19);4-6,11,13-14,19H,7-10,12H2,1-3H3,(H,17,18);7-8,11,21H,4-6,9-10H2,1-3H3,(H,19,20);3-4H,1-2H3;4*1H2.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate?
N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate has a molecular weight of 2604.78 g/mol, XLogP of 23.64, 49 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-(oxan-4-yloxy)aniline;2-methyl-N-[4-[[4-[(2-methylpropan-2-yl)oxy]anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[4-[(2-methylpropan-2-yl)oxy]anilino]pentyl]propane-2-sulfonamide;2-methyl-N-[4-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[4-[(pyridin-2-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;2-methyl-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide;N-[4-(oxan-4-yloxy)phenyl]-N'-propan-2-ylsulfanylpentane-1,5-diamine;propane-2-thiol;tetrahydrate is sourced from PubChem (CID 159820942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).