dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane

C134H183Cl7Cs2N30O24S4 — CID 159161806

About dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane

dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane (PubChem CID 159161806) has the molecular formula C134H183Cl7Cs2N30O24S4 and a molecular weight of 3240.37 g/mol. Its IUPAC name is dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane.

Molecular Properties

• Compound Name: dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane
• PubChem CID: 159161806
• Molecular Formula: C134H183Cl7Cs2N30O24S4
• Molecular Weight: 3240.37 g/mol
• Exact Mass: 3234.88
• IUPAC Name: dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane
• SMILES: CC(=O)N1CCC(Nc2cc(C(=O)CC[C@H](O)CCl)ncn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)CC[C@H](O)CN3CCc4c(ccc(O)c4Cl)C3)ncn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)CC[C@H](O)CN3CCc4c(ccc(OCc5cn[nH]n5)c4Cl)C3)ncn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)CC[C@H](O)CN3CCc4c(ccc(OCc5cnnn5C5CCCCO5)c4Cl)C3)ncn2)CC1.CC(C)(C)OC(=O)N1CCc2c(ccc(O)c2Cl)C1.ClCc1cnnn1C1CCCCO1.O=CO[O-].Oc1ccc2c(c1Cl)CCNC2.S.S.S.S.[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C33H43ClN8O5.C28H35ClN8O4.C25H32ClN5O4.C16H23ClN4O3.C14H18ClNO3.C9H10ClNO.C8H12ClN3O.CH2O3.2Cs.4H2S.H/c1-22(43)41-13-9-24(10-14-41)38-31-16-28(35-21-36-31)29(45)7-6-26(44)19-40-12-11-27-23(18-40)5-8-30(33(27)34)47-20-25-17-37-39-42(25)32-4-2-3-15-46-32;1-18(38)37-10-6-20(7-11-37)33-27-12-24(30-17-31-27)25(40)4-3-22(39)15-36-9-8-23-19(14-36)2-5-26(28(23)29)41-16-21-13-32-35-34-21;1-16(32)31-10-6-18(7-11-31)29-24-12-21(27-15-28-24)22(34)5-3-19(33)14-30-9-8-20-17(13-30)2-4-23(35)25(20)26;1-11(22)21-6-4-12(5-7-21)20-16-8-14(18-10-19-16)15(24)3-2-13(23)9-17;1-14(2,3)19-13(18)16-7-6-10-9(8-16)4-5-11(17)12(10)15;10-9-7-3-4-11-5-6(7)1-2-8(9)12;9-5-7-6-10-11-12(7)8-3-1-2-4-13-8;2-1-4-3;;;;;;;/h5,8,16-17,21,24,26,32,44H,2-4,6-7,9-15,18-20H2,1H3,(H,35,36,38);2,5,12-13,17,20,22,39H,3-4,6-11,14-16H2,1H3,(H,30,31,33)(H,32,34,35);2,4,12,15,18-19,33,35H,3,5-11,13-14H2,1H3,(H,27,28,29);8,10,12-13,23H,2-7,9H2,1H3,(H,18,19,20);4-5,17H,6-8H2,1-3H3;1-2,11-12H,3-5H2;6,8H,1-5H2;1,3H;;;4*1H2;/q;;;;;;;;2*+1;;;;;-1/p-1/t26-,32?;22-;19-;13-;;;;;;;;;;;/m0000.........../s1
• InChIKey: DERBLEJBNCKLKG-RDOXTOEJSA-M
• XLogP: 10.29
• TPSA: 682.93 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 48
• Rotatable Bonds: 41
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3240.37
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane?

The IUPAC name of dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane (CID 159161806) is dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane.

What is the SMILES notation for dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane?

The canonical SMILES for dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane is CC(=O)N1CCC(Nc2cc(C(=O)CC[C@H](O)CCl)ncn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)CC[C@H](O)CN3CCc4c(ccc(O)c4Cl)C3)ncn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)CC[C@H](O)CN3CCc4c(ccc(OCc5cn[nH]n5)c4Cl)C3)ncn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)CC[C@H](O)CN3CCc4c(ccc(OCc5cnnn5C5CCCCO5)c4Cl)C3)ncn2)CC1.CC(C)(C)OC(=O)N1CCc2c(ccc(O)c2Cl)C1.ClCc1cnnn1C1CCCCO1.O=CO[O-].Oc1ccc2c(c1Cl)CCNC2.S.S.S.S.[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane?

The InChIKey is DERBLEJBNCKLKG-RDOXTOEJSA-M. The full InChI is InChI=1S/C33H43ClN8O5.C28H35ClN8O4.C25H32ClN5O4.C16H23ClN4O3.C14H18ClNO3.C9H10ClNO.C8H12ClN3O.CH2O3.2Cs.4H2S.H/c1-22(43)41-13-9-24(10-14-41)38-31-16-28(35-21-36-31)29(45)7-6-26(44)19-40-12-11-27-23(18-40)5-8-30(33(27)34)47-20-25-17-37-39-42(25)32-4-2-3-15-46-32;1-18(38)37-10-6-20(7-11-37)33-27-12-24(30-17-31-27)25(40)4-3-22(39)15-36-9-8-23-19(14-36)2-5-26(28(23)29)41-16-21-13-32-35-34-21;1-16(32)31-10-6-18(7-11-31)29-24-12-21(27-15-28-24)22(34)5-3-19(33)14-30-9-8-20-17(13-30)2-4-23(35)25(20)26;1-11(22)21-6-4-12(5-7-21)20-16-8-14(18-10-19-16)15(24)3-2-13(23)9-17;1-14(2,3)19-13(18)16-7-6-10-9(8-16)4-5-11(17)12(10)15;10-9-7-3-4-11-5-6(7)1-2-8(9)12;9-5-7-6-10-11-12(7)8-3-1-2-4-13-8;2-1-4-3;;;;;;;/h5,8,16-17,21,24,26,32,44H,2-4,6-7,9-15,18-20H2,1H3,(H,35,36,38);2,5,12-13,17,20,22,39H,3-4,6-11,14-16H2,1H3,(H,30,31,33)(H,32,34,35);2,4,12,15,18-19,33,35H,3,5-11,13-14H2,1H3,(H,27,28,29);8,10,12-13,23H,2-7,9H2,1H3,(H,18,19,20);4-5,17H,6-8H2,1-3H3;1-2,11-12H,3-5H2;6,8H,1-5H2;1,3H;;;4*1H2;/q;;;;;;;;2*+1;;;;;-1/p-1/t26-,32?;22-;19-;13-;;;;;;;;;;;/m0000.........../s1.

What are the key properties of dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane?

dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane has a molecular weight of 3240.37 g/mol, XLogP of 10.29, 41 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-(5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-chloro-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-[[3-(oxan-2-yl)triazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-5-[5-chloro-6-(2H-triazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;tert-butyl 5-chloro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-(oxan-2-yl)triazole;5-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol;hydride;oxido formate;sulfane is sourced from PubChem (CID 159161806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).