[(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol

C176H209N15O25 — CID 158473104

About [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol

[(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol (PubChem CID 158473104) has the molecular formula C176H209N15O25 and a molecular weight of 2934.69 g/mol. Its IUPAC name is [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol.

Molecular Properties

• Compound Name: [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol
• PubChem CID: 158473104
• Molecular Formula: C176H209N15O25
• Molecular Weight: 2934.69 g/mol
• Exact Mass: 2932.55
• IUPAC Name: [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol
• SMILES: COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(CO)cc3CCN1C)Oc1c(OC)c(OC)c(CN3CC=CC3)c3c1[C@H](C2)N(C)CC3.COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(CO)cc3CCN1C)Oc1c(OC)c(OC)c(CN3CCN(C(C)C)CC3)c3c1[C@H](C2)N(C)CC3.COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(CO)cc3CCN1C)Oc1c(OC)c(OC)c(CN3CCN(CCO)CC3)c3c1[C@H](C2)N(C)CC3.COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(CO)cc3CCN1C)Oc1c(OC)c(OC)c(Cn3cccn3)c3c1[C@H](C2)N(C)CC3
• InChI: InChI=1S/C46H58N4O6.C45H56N4O7.C43H49N3O6.C42H46N4O6/c1-29(2)50-20-18-49(19-21-50)27-37-35-15-17-48(4)39-23-31-10-13-40(52-5)42(24-31)55-34-11-8-30(9-12-34)22-38-36-26-41(33(28-51)25-32(36)14-16-47(38)3)56-45(43(35)39)46(54-7)44(37)53-6;1-46-14-12-31-25-32(28-51)40-26-35(31)37(46)22-29-6-9-33(10-7-29)55-41-24-30(8-11-39(41)52-3)23-38-42-34(13-15-47(38)2)36(43(53-4)45(54-5)44(42)56-40)27-49-18-16-48(17-19-49)20-21-50;1-44-18-14-29-23-30(26-47)38-24-33(29)35(44)20-27-8-11-31(12-9-27)51-39-22-28(10-13-37(39)48-3)21-36-40-32(15-19-45(36)2)34(25-46-16-6-7-17-46)41(49-4)43(50-5)42(40)52-38;1-44-17-13-28-22-29(25-47)37-23-32(28)34(44)19-26-7-10-30(11-8-26)51-38-21-27(9-12-36(38)48-3)20-35-39-31(14-18-45(35)2)33(24-46-16-6-15-43-46)40(49-4)42(50-5)41(39)52-37/h8-13,24-26,29,38-39,51H,14-23,27-28H2,1-7H3;6-11,24-26,37-38,50-51H,12-23,27-28H2,1-5H3;6-13,22-24,35-36,47H,14-21,25-26H2,1-5H3;6-12,15-16,21-23,34-35,47H,13-14,17-20,24-25H2,1-5H3/t38-,39-;37-,38-;35-,36-;34-,35-/m0000/s1
• InChIKey: HGOZRBBTRLJMDA-LAFIASSJSA-N
• XLogP: 26.84
• TPSA: 345.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2934.69
LogP ≤ 5	26.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol?

The IUPAC name of [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol (CID 158473104) is [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol.

What is the SMILES notation for [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol?

The canonical SMILES for [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol is COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(CO)cc3CCN1C)Oc1c(OC)c(OC)c(CN3CC=CC3)c3c1[C@H](C2)N(C)CC3.COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(CO)cc3CCN1C)Oc1c(OC)c(OC)c(CN3CCN(C(C)C)CC3)c3c1[C@H](C2)N(C)CC3.COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(CO)cc3CCN1C)Oc1c(OC)c(OC)c(CN3CCN(CCO)CC3)c3c1[C@H](C2)N(C)CC3.COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(CO)cc3CCN1C)Oc1c(OC)c(OC)c(Cn3cccn3)c3c1[C@H](C2)N(C)CC3.

What is the InChIKey of [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol?

The InChIKey is HGOZRBBTRLJMDA-LAFIASSJSA-N. The full InChI is InChI=1S/C46H58N4O6.C45H56N4O7.C43H49N3O6.C42H46N4O6/c1-29(2)50-20-18-49(19-21-50)27-37-35-15-17-48(4)39-23-31-10-13-40(52-5)42(24-31)55-34-11-8-30(9-12-34)22-38-36-26-41(33(28-51)25-32(36)14-16-47(38)3)56-45(43(35)39)46(54-7)44(37)53-6;1-46-14-12-31-25-32(28-51)40-26-35(31)37(46)22-29-6-9-33(10-7-29)55-41-24-30(8-11-39(41)52-3)23-38-42-34(13-15-47(38)2)36(43(53-4)45(54-5)44(42)56-40)27-49-18-16-48(17-19-49)20-21-50;1-44-18-14-29-23-30(26-47)38-24-33(29)35(44)20-27-8-11-31(12-9-27)51-39-22-28(10-13-37(39)48-3)21-36-40-32(15-19-45(36)2)34(25-46-16-6-7-17-46)41(49-4)43(50-5)42(40)52-38;1-44-17-13-28-22-29(25-47)37-23-32(28)34(44)19-26-7-10-30(11-8-26)51-38-21-27(9-12-36(38)48-3)20-35-39-31(14-18-45(35)2)33(24-46-16-6-15-43-46)40(49-4)42(50-5)41(39)52-37/h8-13,24-26,29,38-39,51H,14-23,27-28H2,1-7H3;6-11,24-26,37-38,50-51H,12-23,27-28H2,1-5H3;6-13,22-24,35-36,47H,14-21,25-26H2,1-5H3;6-12,15-16,21-23,34-35,47H,13-14,17-20,24-25H2,1-5H3/t38-,39-;37-,38-;35-,36-;34-,35-/m0000/s1.

What are the key properties of [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol?

[(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol has a molecular weight of 2934.69 g/mol, XLogP of 26.84, 27 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,14S)-19-(2,5-dihydropyrrol-1-ylmethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;2-[4-[[(1S,14S)-25-(hydroxymethyl)-9,20,21-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-19-yl]methyl]piperazin-1-yl]ethanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-[(4-propan-2-ylpiperazin-1-yl)methyl]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20,21-trimethoxy-15,30-dimethyl-19-(pyrazol-1-ylmethyl)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol is sourced from PubChem (CID 158473104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).