6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne

C426H122N26O7S2 — CID 157177547

About 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne

6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne (PubChem CID 157177547) has the molecular formula C426H122N26O7S2 and a molecular weight of 5779.97 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne.

Molecular Properties

• Compound Name: 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne
• PubChem CID: 157177547
• Molecular Formula: C426H122N26O7S2
• Molecular Weight: 5779.97 g/mol
• Exact Mass: 5774.94
• IUPAC Name: 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COc1cc(N2CCN(S(=O)(=O)C(C)C)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.COc1cc(N2CCN(S(=O)(=O)CCCN3CCN(C)CC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.COc1cc(N2CCNCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
• InChI: InChI=1S/C177H4.C172H6.C30H46N10O3S.C25H36N8O3S.C22H30N8O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-37-12-14-38(15-13-37)11-6-20-44(41,42)40-18-16-39(17-19-40)24-9-10-25(26(21-24)43-2)34-30-35-28-27(31-22-32-28)29(36-30)33-23-7-4-3-5-8-23;1-17(2)37(34,35)33-13-11-32(12-14-33)19-9-10-20(21(15-19)36-3)29-25-30-23-22(26-16-27-23)24(31-25)28-18-7-5-4-6-8-18;1-31-18-13-16(30-11-9-23-10-12-30)7-8-17(18)27-22-28-20-19(24-14-25-20)21(29-22)26-15-5-3-2-4-6-15/h1H,2H3;1-2H3;9-10,21-23H,3-8,11-20H2,1-2H3,(H3,31,32,33,34,35,36);9-10,15-18H,4-8,11-14H2,1-3H3,(H3,26,27,28,29,30,31);7-8,13-15,23H,2-6,9-12H2,1H3,(H3,24,25,26,27,28,29)
• InChIKey: AOEOGNAAFPSAQH-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 366.24 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 461
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5779.97
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne?

The IUPAC name of 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne (CID 157177547) is 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne.

What is the SMILES notation for 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne?

The canonical SMILES for 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COc1cc(N2CCN(S(=O)(=O)C(C)C)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.COc1cc(N2CCN(S(=O)(=O)CCCN3CCN(C)CC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.COc1cc(N2CCNCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.

What is the InChIKey of 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne?

The InChIKey is AOEOGNAAFPSAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C177H4.C172H6.C30H46N10O3S.C25H36N8O3S.C22H30N8O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-37-12-14-38(15-13-37)11-6-20-44(41,42)40-18-16-39(17-19-40)24-9-10-25(26(21-24)43-2)34-30-35-28-27(31-22-32-28)29(36-30)33-23-7-4-3-5-8-23;1-17(2)37(34,35)33-13-11-32(12-14-33)19-9-10-20(21(15-19)36-3)29-25-30-23-22(26-16-27-23)24(31-25)28-18-7-5-4-6-8-18;1-31-18-13-16(30-11-9-23-10-12-30)7-8-17(18)27-22-28-20-19(24-14-25-20)21(29-22)26-15-5-3-2-4-6-15/h1H,2H3;1-2H3;9-10,21-23H,3-8,11-20H2,1-2H3,(H3,31,32,33,34,35,36);9-10,15-18H,4-8,11-14H2,1-3H3,(H3,26,27,28,29,30,31);7-8,13-15,23H,2-6,9-12H2,1H3,(H3,24,25,26,27,28,29).

What are the key properties of 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne?

6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne has a molecular weight of 5779.97 g/mol, XLogP of 12.16, 25 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperazin-1-yl]phenyl]-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-(2-methoxy-4-piperazin-1-ylphenyl)-7H-purine-2,6-diamine;6-N-cyclohexyl-2-N-[2-methoxy-4-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine;doheptacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170-pentaoctacontayne;heptaheptacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175-octaoctacontayne is sourced from PubChem (CID 157177547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).