(E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one

C122H143N25O10S5 — CID 157356542

About (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one

(E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one (PubChem CID 157356542) has the molecular formula C122H143N25O10S5 and a molecular weight of 2279.99 g/mol. Its IUPAC name is (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one.

Molecular Properties

• Compound Name: (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one
• PubChem CID: 157356542
• Molecular Formula: C122H143N25O10S5
• Molecular Weight: 2279.99 g/mol
• Exact Mass: 2278.01
• IUPAC Name: (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one
• SMILES: CC(=O)OC/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C)c4ccccc4)c23)C1.C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(C)CCO)C3)c1ccccc1.C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(CCO)CCO)C3)c1ccccc1.C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CNC1CC1)C3)c1ccccc1.C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CNN1CCCCC1)C3)c1ccccc1
• InChI: InChI=1S/C26H32N6OS.C25H31N5O3S.C24H29N5O2S.C24H27N5OS.C23H24N4O3S/c1-19(20-9-4-2-5-10-20)30-25-24-21-12-16-31(17-22(21)34-26(24)28-18-27-25)23(33)11-8-13-29-32-14-6-3-7-15-32;1-18(19-6-3-2-4-7-19)28-24-23-20-9-11-30(16-21(20)34-25(23)27-17-26-24)22(33)8-5-10-29(12-14-31)13-15-32;1-17(18-7-4-3-5-8-18)27-23-22-19-10-12-29(15-20(19)32-24(22)26-16-25-23)21(31)9-6-11-28(2)13-14-30;1-16(17-6-3-2-4-7-17)28-23-22-19-11-13-29(14-20(19)31-24(22)27-15-26-23)21(30)8-5-12-25-18-9-10-18;1-15(17-7-4-3-5-8-17)26-22-21-18-10-11-27(20(29)9-6-12-30-16(2)28)13-19(18)31-23(21)25-14-24-22/h2,4-5,8-11,18-19,29H,3,6-7,12-17H2,1H3,(H,27,28,30);2-8,17-18,31-32H,9-16H2,1H3,(H,26,27,28);3-9,16-17,30H,10-15H2,1-2H3,(H,25,26,27);2-8,15-16,18,25H,9-14H2,1H3,(H,26,27,28);3-9,14-15H,10-13H2,1-2H3,(H,24,25,26)/b11-8+;8-5+;9-6+;8-5+;9-6+/t19-;18-;17-;16-;15-/m11111/s1
• InChIKey: BIDOFWAVYUDGSH-SZGXQLLWSA-N
• XLogP: 18.04
• TPSA: 411.37 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2279.99
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one?

The IUPAC name of (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one (CID 157356542) is (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one.

What is the SMILES notation for (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one?

The canonical SMILES for (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one is CC(=O)OC/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C)c4ccccc4)c23)C1.C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(C)CCO)C3)c1ccccc1.C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(CCO)CCO)C3)c1ccccc1.C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CNC1CC1)C3)c1ccccc1.C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CNN1CCCCC1)C3)c1ccccc1.

What is the InChIKey of (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one?

The InChIKey is BIDOFWAVYUDGSH-SZGXQLLWSA-N. The full InChI is InChI=1S/C26H32N6OS.C25H31N5O3S.C24H29N5O2S.C24H27N5OS.C23H24N4O3S/c1-19(20-9-4-2-5-10-20)30-25-24-21-12-16-31(17-22(21)34-26(24)28-18-27-25)23(33)11-8-13-29-32-14-6-3-7-15-32;1-18(19-6-3-2-4-7-19)28-24-23-20-9-11-30(16-21(20)34-25(23)27-17-26-24)22(33)8-5-10-29(12-14-31)13-15-32;1-17(18-7-4-3-5-8-18)27-23-22-19-10-12-29(15-20(19)32-24(22)26-16-25-23)21(31)9-6-11-28(2)13-14-30;1-16(17-6-3-2-4-7-17)28-23-22-19-11-13-29(14-20(19)31-24(22)27-15-26-23)21(30)8-5-12-25-18-9-10-18;1-15(17-7-4-3-5-8-17)26-22-21-18-10-11-27(20(29)9-6-12-30-16(2)28)13-19(18)31-23(21)25-14-24-22/h2,4-5,8-11,18-19,29H,3,6-7,12-17H2,1H3,(H,27,28,30);2-8,17-18,31-32H,9-16H2,1H3,(H,26,27,28);3-9,16-17,30H,10-15H2,1-2H3,(H,25,26,27);2-8,15-16,18,25H,9-14H2,1H3,(H,26,27,28);3-9,14-15H,10-13H2,1-2H3,(H,24,25,26)/b11-8+;8-5+;9-6+;8-5+;9-6+/t19-;18-;17-;16-;15-/m11111/s1.

What are the key properties of (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one?

(E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one has a molecular weight of 2279.99 g/mol, XLogP of 18.04, 38 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-[bis(2-hydroxyethyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(cyclopropylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-[2-hydroxyethyl(methyl)amino]-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;[(E)-4-oxo-4-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-enyl] acetate;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(piperidin-1-ylamino)but-2-en-1-one is sourced from PubChem (CID 157356542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).