3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide

C186H284Cl6N48O25S — CID 161091388

IUPAC3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide
SMILESC[C@H](CCCC1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCC1CCN(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCN1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCN1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCN1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CS(C)(=O)=O)c1.C[C@H](CCCN1CCN(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1
InChIInChI=1S/C32H48ClN7O4.C31H49ClN8O5S.3C31H47ClN8O4.C30H46ClN9O4/c1-20(8-14-25(42)23-13-15-26(43)24(19-23)16-18-41)5-4-7-22-11-9-21(10-12-22)6-2-3-17-37-32(36)40-31(44)27-29(34)39-30(35)28(33)38-27;1-20(8-10-24(41)22-9-11-25(42)23(18-22)19-46(2,44)45)6-5-15-40-16-12-21(13-17-40)7-3-4-14-36-31(35)39-30(43)26-28(33)38-29(34)27(32)37-26;1-20(7-9-24(42)22-8-10-25(43)23(19-22)13-18-41)5-4-6-21-11-16-40(17-12-21)15-3-2-14-36-31(35)39-30(44)26-28(33)38-29(34)27(32)37-26;2*1-20(7-9-24(42)22-8-10-25(43)23(19-22)13-18-41)5-4-15-40-16-11-21(12-17-40)6-2-3-14-36-31(35)39-30(44)26-28(33)38-29(34)27(32)37-26;1-20(6-8-23(42)21-7-9-24(43)22(19-21)10-18-41)5-4-13-40-16-14-39(15-17-40)12-3-2-11-35-30(34)38-29(44)25-27(32)37-28(33)26(31)36-25/h13,15,18-22,25,42-43H,2-12,14,16-17H2,1H3,(H4,34,35,39)(H3,36,37,40,44);9,11,18,20-21,24,41-42H,3-8,10,12-17,19H2,1-2H3,(H4,33,34,38)(H3,35,36,39,43);3*8,10,18-21,24,42-43H,2-7,9,11-17H2,1H3,(H4,33,34,38)(H3,35,36,39,44);7,9,18-20,23,42-43H,2-6,8,10-17H2,1H3,(H4,32,33,37)(H3,34,35,38,44)/t20-,21?,22?,25+;4*20-,24+;20-,23+/m111111/s1
InChIKeyUHFLRRCYBTWHEY-ZXJQLOQWSA-N
MW3837.41 g/mol
LogP21.39
Rot. Bonds96

About 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide (PubChem CID 161091388) has the molecular formula C186H284Cl6N48O25S and a molecular weight of 3837.41 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide
PubChem CID161091388
Molecular FormulaC186H284Cl6N48O25S
Molecular Weight3837.41 g/mol
Exact Mass3832.03
IUPAC Name3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide
SMILESC[C@H](CCCC1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCC1CCN(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCN1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCN1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCN1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CS(C)(=O)=O)c1.C[C@H](CCCN1CCN(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1
InChIInChI=1S/C32H48ClN7O4.C31H49ClN8O5S.3C31H47ClN8O4.C30H46ClN9O4/c1-20(8-14-25(42)23-13-15-26(43)24(19-23)16-18-41)5-4-7-22-11-9-21(10-12-22)6-2-3-17-37-32(36)40-31(44)27-29(34)39-30(35)28(33)38-27;1-20(8-10-24(41)22-9-11-25(42)23(18-22)19-46(2,44)45)6-5-15-40-16-12-21(13-17-40)7-3-4-14-36-31(35)39-30(43)26-28(33)38-29(34)27(32)37-26;1-20(7-9-24(42)22-8-10-25(43)23(19-22)13-18-41)5-4-6-21-11-16-40(17-12-21)15-3-2-14-36-31(35)39-30(44)26-28(33)38-29(34)27(32)37-26;2*1-20(7-9-24(42)22-8-10-25(43)23(19-22)13-18-41)5-4-15-40-16-11-21(12-17-40)6-2-3-14-36-31(35)39-30(44)26-28(33)38-29(34)27(32)37-26;1-20(6-8-23(42)21-7-9-24(43)22(19-21)10-18-41)5-4-13-40-16-14-39(15-17-40)12-3-2-11-35-30(34)38-29(44)25-27(32)37-28(33)26(31)36-25/h13,15,18-22,25,42-43H,2-12,14,16-17H2,1H3,(H4,34,35,39)(H3,36,37,40,44);9,11,18,20-21,24,41-42H,3-8,10,12-17,19H2,1-2H3,(H4,33,34,38)(H3,35,36,39,43);3*8,10,18-21,24,42-43H,2-7,9,11-17H2,1H3,(H4,33,34,38)(H3,35,36,39,44);7,9,18-20,23,42-43H,2-6,8,10-17H2,1H3,(H4,32,33,37)(H3,34,35,38,44)/t20-,21?,22?,25+;4*20-,24+;20-,23+/m111111/s1
InChIKeyUHFLRRCYBTWHEY-ZXJQLOQWSA-N
XLogP21.39
TPSA1253.49 Ų
H-Bond Donors36
H-Bond Acceptors61
Rotatable Bonds96
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003837.41
LogP ≤ 521.39
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1061

Analyze 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide (CID 161091388) is 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide is C[C@H](CCCC1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCC1CCN(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCN1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCN1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.C[C@H](CCCN1CCC(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CS(C)(=O)=O)c1.C[C@H](CCCN1CCN(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)CC[C@H](O)c1ccc(O)c(CC=O)c1.
What is the InChIKey of 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
The InChIKey is UHFLRRCYBTWHEY-ZXJQLOQWSA-N. The full InChI is InChI=1S/C32H48ClN7O4.C31H49ClN8O5S.3C31H47ClN8O4.C30H46ClN9O4/c1-20(8-14-25(42)23-13-15-26(43)24(19-23)16-18-41)5-4-7-22-11-9-21(10-12-22)6-2-3-17-37-32(36)40-31(44)27-29(34)39-30(35)28(33)38-27;1-20(8-10-24(41)22-9-11-25(42)23(18-22)19-46(2,44)45)6-5-15-40-16-12-21(13-17-40)7-3-4-14-36-31(35)39-30(43)26-28(33)38-29(34)27(32)37-26;1-20(7-9-24(42)22-8-10-25(43)23(19-22)13-18-41)5-4-6-21-11-16-40(17-12-21)15-3-2-14-36-31(35)39-30(44)26-28(33)38-29(34)27(32)37-26;2*1-20(7-9-24(42)22-8-10-25(43)23(19-22)13-18-41)5-4-15-40-16-11-21(12-17-40)6-2-3-14-36-31(35)39-30(44)26-28(33)38-29(34)27(32)37-26;1-20(6-8-23(42)21-7-9-24(43)22(19-21)10-18-41)5-4-13-40-16-14-39(15-17-40)12-3-2-11-35-30(34)38-29(44)25-27(32)37-28(33)26(31)36-25/h13,15,18-22,25,42-43H,2-12,14,16-17H2,1H3,(H4,34,35,39)(H3,36,37,40,44);9,11,18,20-21,24,41-42H,3-8,10,12-17,19H2,1-2H3,(H4,33,34,38)(H3,35,36,39,43);3*8,10,18-21,24,42-43H,2-7,9,11-17H2,1H3,(H4,33,34,38)(H3,35,36,39,44);7,9,18-20,23,42-43H,2-6,8,10-17H2,1H3,(H4,32,33,37)(H3,34,35,38,44)/t20-,21?,22?,25+;4*20-,24+;20-,23+/m111111/s1.
What are the key properties of 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide has a molecular weight of 3837.41 g/mol, XLogP of 21.39, 96 rotatable bonds, 36 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(methylsulfonylmethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]cyclohexyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperazin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[N'-[4-[1-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-4-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R,7S)-7-hydroxy-7-[4-hydroxy-3-(2-oxoethyl)phenyl]-4-methylheptyl]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide is sourced from PubChem (CID 161091388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).