acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc

C199H202CuFeN24O16S6Zn2-3 — CID 159328376

IUPACacetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCCC(CC)C(=O)NC1=NC(=Cc2[n-]c(NC(=O)C(CC)CCCC)c(-c3nc4ccccc4s3)c2-c2ccc(C)cc2C)C(C(C)C)=C1C#N.CCCCC(CC)C(=O)NC1=NC(=Cc2[n-]c(NC(=O)C(CC)CCCC)c(-c3nc4ccccc4s3)c2-c2ccccc2C)C(c2ccccc2C)=C1c1nc2ccccc2s1.CCCCC(CC)C(=O)Nc1[n-]c(C=C2N=C(NC(=O)c3cccc(C)c3C)C(C#N)=C2C(C)C)c(-c2ccccc2)c1-c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.[Cu+].[Fe].[Zn].[Zn]
InChIInChI=1S/C53H56N6O2S2.C51H36N6O2S2.C44H54N6O2S.C43H44N6O2S.4C2H4O2.Cu.Fe.2Zn/c1-7-11-23-34(9-3)50(60)58-48-46(52-56-38-27-17-19-29-42(38)62-52)44(36-25-15-13-21-32(36)5)40(54-48)31-41-45(37-26-16-14-22-33(37)6)47(53-57-39-28-18-20-30-43(39)63-53)49(55-41)59-51(61)35(10-4)24-12-8-2;1-30-17-9-11-23-34(30)48(58)56-46-44(50-54-36-25-13-15-27-40(36)60-50)42(32-19-5-3-6-20-32)38(52-46)29-39-43(33-21-7-4-8-22-33)45(51-55-37-26-14-16-28-41(37)61-51)47(53-39)57-49(59)35-24-12-10-18-31(35)2;1-9-13-17-29(11-3)42(51)49-40-32(25-45)37(26(5)6)34(46-40)24-35-38(31-22-21-27(7)23-28(31)8)39(44-48-33-19-15-16-20-36(33)53-44)41(47-35)50-43(52)30(12-4)18-14-10-2;1-7-9-17-28(8-2)41(50)49-40-38(43-47-32-21-13-14-22-35(32)52-43)37(29-18-11-10-12-19-29)34(46-40)23-33-36(25(3)4)31(24-44)39(45-33)48-42(51)30-20-15-16-26(5)27(30)6;4*1-2(3)4;;;;/h13-22,25-31,34-35H,7-12,23-24H2,1-6H3,(H3,54,55,56,57,58,59,60,61);3-29H,1-2H3,(H3,52,53,54,55,56,57,58,59);15-16,19-24,26,29-30H,9-14,17-18H2,1-8H3,(H3,46,47,48,49,50,51,52);10-16,18-23,25,28H,7-9,17H2,1-6H3,(H3,45,46,47,48,49,50,51);4*1H3,(H,3,4);;;;/q;;;;;;;;+1;;;/p-4
InChIKeyKJUMCQPLPPOUSL-UHFFFAOYSA-J
MW3628.53 g/mol
LogP46.82
Rot. Bonds50

About acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc

acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc (PubChem CID 159328376) has the molecular formula C199H202CuFeN24O16S6Zn2-3 and a molecular weight of 3628.53 g/mol. Its IUPAC name is acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc.

Molecular Properties

Compound Nameacetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc
PubChem CID159328376
Molecular FormulaC199H202CuFeN24O16S6Zn2-3
Molecular Weight3628.53 g/mol
Exact Mass3622.13
IUPAC Nameacetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCCC(CC)C(=O)NC1=NC(=Cc2[n-]c(NC(=O)C(CC)CCCC)c(-c3nc4ccccc4s3)c2-c2ccc(C)cc2C)C(C(C)C)=C1C#N.CCCCC(CC)C(=O)NC1=NC(=Cc2[n-]c(NC(=O)C(CC)CCCC)c(-c3nc4ccccc4s3)c2-c2ccccc2C)C(c2ccccc2C)=C1c1nc2ccccc2s1.CCCCC(CC)C(=O)Nc1[n-]c(C=C2N=C(NC(=O)c3cccc(C)c3C)C(C#N)=C2C(C)C)c(-c2ccccc2)c1-c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.[Cu+].[Fe].[Zn].[Zn]
InChIInChI=1S/C53H56N6O2S2.C51H36N6O2S2.C44H54N6O2S.C43H44N6O2S.4C2H4O2.Cu.Fe.2Zn/c1-7-11-23-34(9-3)50(60)58-48-46(52-56-38-27-17-19-29-42(38)62-52)44(36-25-15-13-21-32(36)5)40(54-48)31-41-45(37-26-16-14-22-33(37)6)47(53-57-39-28-18-20-30-43(39)63-53)49(55-41)59-51(61)35(10-4)24-12-8-2;1-30-17-9-11-23-34(30)48(58)56-46-44(50-54-36-25-13-15-27-40(36)60-50)42(32-19-5-3-6-20-32)38(52-46)29-39-43(33-21-7-4-8-22-33)45(51-55-37-26-14-16-28-41(37)61-51)47(53-39)57-49(59)35-24-12-10-18-31(35)2;1-9-13-17-29(11-3)42(51)49-40-32(25-45)37(26(5)6)34(46-40)24-35-38(31-22-21-27(7)23-28(31)8)39(44-48-33-19-15-16-20-36(33)53-44)41(47-35)50-43(52)30(12-4)18-14-10-2;1-7-9-17-28(8-2)41(50)49-40-38(43-47-32-21-13-14-22-35(32)52-43)37(29-18-11-10-12-19-29)34(46-40)23-33-36(25(3)4)31(24-44)39(45-33)48-42(51)30-20-15-16-26(5)27(30)6;4*1-2(3)4;;;;/h13-22,25-31,34-35H,7-12,23-24H2,1-6H3,(H3,54,55,56,57,58,59,60,61);3-29H,1-2H3,(H3,52,53,54,55,56,57,58,59);15-16,19-24,26,29-30H,9-14,17-18H2,1-8H3,(H3,46,47,48,49,50,51,52);10-16,18-23,25,28H,7-9,17H2,1-6H3,(H3,45,46,47,48,49,50,51);4*1H3,(H,3,4);;;;/q;;;;;;;;+1;;;/p-4
InChIKeyKJUMCQPLPPOUSL-UHFFFAOYSA-J
XLogP46.82
TPSA612.76 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds50
Heavy Atoms249
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003628.53
LogP ≤ 546.82
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc?
The IUPAC name of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc (CID 159328376) is acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc.
What is the SMILES notation for acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc?
The canonical SMILES for acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCCC(CC)C(=O)NC1=NC(=Cc2[n-]c(NC(=O)C(CC)CCCC)c(-c3nc4ccccc4s3)c2-c2ccc(C)cc2C)C(C(C)C)=C1C#N.CCCCC(CC)C(=O)NC1=NC(=Cc2[n-]c(NC(=O)C(CC)CCCC)c(-c3nc4ccccc4s3)c2-c2ccccc2C)C(c2ccccc2C)=C1c1nc2ccccc2s1.CCCCC(CC)C(=O)Nc1[n-]c(C=C2N=C(NC(=O)c3cccc(C)c3C)C(C#N)=C2C(C)C)c(-c2ccccc2)c1-c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccccc2)C(c2ccccc2)=C1c1nc2ccccc2s1.[Cu+].[Fe].[Zn].[Zn].
What is the InChIKey of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc?
The InChIKey is KJUMCQPLPPOUSL-UHFFFAOYSA-J. The full InChI is InChI=1S/C53H56N6O2S2.C51H36N6O2S2.C44H54N6O2S.C43H44N6O2S.4C2H4O2.Cu.Fe.2Zn/c1-7-11-23-34(9-3)50(60)58-48-46(52-56-38-27-17-19-29-42(38)62-52)44(36-25-15-13-21-32(36)5)40(54-48)31-41-45(37-26-16-14-22-33(37)6)47(53-57-39-28-18-20-30-43(39)63-53)49(55-41)59-51(61)35(10-4)24-12-8-2;1-30-17-9-11-23-34(30)48(58)56-46-44(50-54-36-25-13-15-27-40(36)60-50)42(32-19-5-3-6-20-32)38(52-46)29-39-43(33-21-7-4-8-22-33)45(51-55-37-26-14-16-28-41(37)61-51)47(53-39)57-49(59)35-24-12-10-18-31(35)2;1-9-13-17-29(11-3)42(51)49-40-32(25-45)37(26(5)6)34(46-40)24-35-38(31-22-21-27(7)23-28(31)8)39(44-48-33-19-15-16-20-36(33)53-44)41(47-35)50-43(52)30(12-4)18-14-10-2;1-7-9-17-28(8-2)41(50)49-40-38(43-47-32-21-13-14-22-35(32)52-43)37(29-18-11-10-12-19-29)34(46-40)23-33-36(25(3)4)31(24-44)39(45-33)48-42(51)30-20-15-16-26(5)27(30)6;4*1-2(3)4;;;;/h13-22,25-31,34-35H,7-12,23-24H2,1-6H3,(H3,54,55,56,57,58,59,60,61);3-29H,1-2H3,(H3,52,53,54,55,56,57,58,59);15-16,19-24,26,29-30H,9-14,17-18H2,1-8H3,(H3,46,47,48,49,50,51,52);10-16,18-23,25,28H,7-9,17H2,1-6H3,(H3,45,46,47,48,49,50,51);4*1H3,(H,3,4);;;;/q;;;;;;;;+1;;;/p-4.
What are the key properties of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc?
acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc has a molecular weight of 3628.53 g/mol, XLogP of 46.82, 50 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-(2-methylphenyl)pyrrol-2-ylidene]methyl]-4-(2-methylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-cyano-5-(2-ethylhexanoylamino)-3-propan-2-ylpyrrol-2-ylidene]methyl]-4-(2,4-dimethylphenyl)pyrrol-1-id-2-yl]-2-ethylhexanamide;N-[5-[[4-(1,3-benzothiazol-2-yl)-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-3-cyano-4-propan-2-ylpyrrol-2-yl]-2,3-dimethylbenzamide;copper(1+);iron;zinc is sourced from PubChem (CID 159328376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).