4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine

C88H104Cl3N19O12S8 — CID 157227019

IUPAC4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCC(C)c1csc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.O=S(=O)(CC1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1cccs1.O=S(=O)(C[C@@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1.O=S(=O)(C[C@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1
InChIInChI=1S/C24H31N5O3S2.C22H25ClN4O3S2.2C21H24ClN5O3S2/c1-17(2)22-14-33-24(27-22)34(30,31)15-18-4-3-7-29(13-18)23-20-6-5-19(12-21(20)25-16-26-23)28-8-10-32-11-9-28;23-22-24-19-13-17(26-8-10-30-11-9-26)5-6-18(19)21(25-22)27-7-1-3-16(14-27)15-32(28,29)20-4-2-12-31-20;2*22-20-24-18-12-16(26-7-9-30-10-8-26)3-4-17(18)19(25-20)27-6-1-2-15(13-27)14-32(28,29)21-23-5-11-31-21/h5-6,12,14,16-18H,3-4,7-11,13,15H2,1-2H3;2,4-6,12-13,16H,1,3,7-11,14-15H2;2*3-5,11-12,15H,1-2,6-10,13-14H2/t;;2*15-/m..10/s1
InChIKeyATQUNROUCAHHCK-OSGJGRGGSA-N
MW1982.82 g/mol
LogP14.14
Rot. Bonds21

About 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine

4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 157227019) has the molecular formula C88H104Cl3N19O12S8 and a molecular weight of 1982.82 g/mol. Its IUPAC name is 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID157227019
Molecular FormulaC88H104Cl3N19O12S8
Molecular Weight1982.82 g/mol
Exact Mass1979.49
IUPAC Name4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCC(C)c1csc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.O=S(=O)(CC1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1cccs1.O=S(=O)(C[C@@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1.O=S(=O)(C[C@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1
InChIInChI=1S/C24H31N5O3S2.C22H25ClN4O3S2.2C21H24ClN5O3S2/c1-17(2)22-14-33-24(27-22)34(30,31)15-18-4-3-7-29(13-18)23-20-6-5-19(12-21(20)25-16-26-23)28-8-10-32-11-9-28;23-22-24-19-13-17(26-8-10-30-11-9-26)5-6-18(19)21(25-22)27-7-1-3-16(14-27)15-32(28,29)20-4-2-12-31-20;2*22-20-24-18-12-16(26-7-9-30-10-8-26)3-4-17(18)19(25-20)27-6-1-2-15(13-27)14-32(28,29)21-23-5-11-31-21/h5-6,12,14,16-18H,3-4,7-11,13,15H2,1-2H3;2,4-6,12-13,16H,1,3,7-11,14-15H2;2*3-5,11-12,15H,1-2,6-10,13-14H2/t;;2*15-/m..10/s1
InChIKeyATQUNROUCAHHCK-OSGJGRGGSA-N
XLogP14.14
TPSA341.19 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001982.82
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine with MolForge

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Related Compounds

2,2-Dimethylpropane;4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 144251345
4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 157379189
N-[5-[[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methylsulfonyl]-1,3-thiazol-2-yl]acetamide
CID 157546121
4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;N-methyl-N-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 157592242
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidine;6-butylsulfinyl-2-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-methyl-6-morpholin-4-yl-2-propylsulfinylthieno[2,3-b]pyridin-3-amine;4-methyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-propan-2-ylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158189890
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidine;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-methyl-6-morpholin-4-yl-2-propylsulfinylthieno[2,3-b]pyridin-3-amine;4-methyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-propan-2-ylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158221919
4-[4-[3-[3-methylbutoxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-methyl-N-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1,3-thiazole-2-sulfonamide;4-[4-[3-[2-morpholin-4-ylethoxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[2-pyrrolidin-1-ylethoxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 158247074
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidine;6-butylsulfinyl-2-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-methyl-6-morpholin-4-yl-2-propylsulfinylthieno[2,3-b]pyridin-3-amine;4-methyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-propan-2-ylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158746247
2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
CID 159058762
4-[4-[1-(Benzenesulfonyl)-3-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;bis(4-[4-[1-(benzenesulfonyl)-3-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine)
CID 159067938
4-[2-Chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 159091696
2-[1-(7-Morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol;[1-(7-morpholin-4-ylquinazolin-4-yl)pyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanol
CID 159206305

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine (CID 157227019) is 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine is CC(C)c1csc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.O=S(=O)(CC1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1cccs1.O=S(=O)(C[C@@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1.O=S(=O)(C[C@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1.
What is the InChIKey of 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is ATQUNROUCAHHCK-OSGJGRGGSA-N. The full InChI is InChI=1S/C24H31N5O3S2.C22H25ClN4O3S2.2C21H24ClN5O3S2/c1-17(2)22-14-33-24(27-22)34(30,31)15-18-4-3-7-29(13-18)23-20-6-5-19(12-21(20)25-16-26-23)28-8-10-32-11-9-28;23-22-24-19-13-17(26-8-10-30-11-9-26)5-6-18(19)21(25-22)27-7-1-3-16(14-27)15-32(28,29)20-4-2-12-31-20;2*22-20-24-18-12-16(26-7-9-30-10-8-26)3-4-17(18)19(25-20)27-6-1-2-15(13-27)14-32(28,29)21-23-5-11-31-21/h5-6,12,14,16-18H,3-4,7-11,13,15H2,1-2H3;2,4-6,12-13,16H,1,3,7-11,14-15H2;2*3-5,11-12,15H,1-2,6-10,13-14H2/t;;2*15-/m..10/s1.
What are the key properties of 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 1982.82 g/mol, XLogP of 14.14, 21 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 157227019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).