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C2H

C2H
Name:	acetylene
Formula:	C2 H2
SMILES:	C#C
InChi:	InChI=1S/C2H2/c1-2/h1-2H
Synonyms:	ethyne
Definition date:	2017-10-19
Last modified:	2020-06-17
Release date:	2018-01-10
Identifier:	ethyne

C2Z

C2Z
Name:	5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid
Formula:	C7 H6 N O6 P
SMILES:	OP(c1ccc(o1)c2cc(O)on2)(O)=O
InChi:	InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12)
Synonyms:	[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid
Definition date:	2015-04-27
Last modified:	2020-06-17
Release date:	2016-03-09
Identifier:	[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid

C3D

C3D
Name:	(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL
Formula:	C28 H31 N O2
SMILES:	O(c1ccc(cc1)C4c2ccc(O)cc2CCC4c3ccccc3)CCN5CCCC5
InChi:	InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
Synonyms:	Lasofoxifene
Definition date:	2007-02-21
Last modified:	2020-06-17
Identifier:	(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C4P

C4P
Name:	N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
Formula:	C24 H29 N3 O4 S
SMILES:	O=C(NC(C(=O)NC(C=O)CSCc1ccccc1)Cc2ccccc2)N3CCOCC3
InChi:	InChI=1S/C24H29N3O4S/c28-16-21(18-32-17-20-9-5-2-6-10-20)25-23(29)22(15-19-7-3-1-4-8-19)26-24(30)27-11-13-31-14-12-27/h1-10,16,21-22H,11-15,17-18H2,(H,25,29)(H,26,30)/t21-,22+/m1/s1
Synonyms:	MORPHOLINE-4-CARBOXYLIC ACID [1-(2-BENZYLSULFANYL-1-FORMYL-ETHYLCARBAMOYL)-2-PHENYL-ETHYL]-AMIDE
Definition date:	2003-02-11
Last modified:	2020-06-17
Identifier:	N-[(1R)-2-(benzylsulfanyl)-1-formylethyl]-Nalpha-(morpholin-4-ylcarbonyl)-L-phenylalaninamide

C5E

C5E
Name:	(1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE
Formula:	C11 H14 N2 O
SMILES:	O=C1C=CC=C2N1CC3CNCC2C3
InChi:	InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
Synonyms:	CYTISINE
Definition date:	2012-01-23
Last modified:	2020-06-17
Identifier:	(1R,5S)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

C6H

C6H
Name:	1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
Formula:	C24 H33 Cl N2 O2
SMILES:	COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC3CCN(CC3)CC4CCCCC4
InChi:	InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3
Synonyms:	MR28926
Definition date:	2017-11-15
Last modified:	2020-06-17
Release date:	2018-11-21
Identifier:	1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one

C6Q

C6Q
Name:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide
Formula:	C36 H63 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCc2ccccc2
InChi:	InChI=1S/C36H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29(39)32(41)28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)37-31(40)24-19-14-17-22-27-20-15-13-16-21-27/h13,15-16,20-21,28-30,32-36,38-39,41-44H,2-12,14,17-19,22-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1
Synonyms:	(2S,3S,4R)-N-PHENYLHEXANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-06
Last modified:	2020-06-17
Identifier:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide

C76

C76
Name:	2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
Formula:	C8 H12 F3 N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O
InChi:	InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	N-trifluoroacetyl-D-glucosamine
Definition date:	2019-04-12
Last modified:	2020-06-17
Release date:	2020-05-13
Identifier:	2,2,2-tris(fluoranyl)-~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

C8F

C8F
Name:	8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide
Formula:	C38 H66 F N O9
SMILES:	Fc1ccc(cc1)CCCCCCCC(=O)NC(COC2OC(C(O)C(O)C2O)CO)C(O)C(O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C38H66FNO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(42)34(44)30(27-48-38-37(47)36(46)35(45)32(26-41)49-38)40-33(43)21-18-15-12-13-16-19-28-22-24-29(39)25-23-28/h22-25,30-32,34-38,41-42,44-47H,2-21,26-27H2,1H3,(H,40,43)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1
Synonyms:	(2S,3S,4R)-N-4-FLUOROPHENYLOCTANOYL- 1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-07
Last modified:	2020-06-17
Identifier:	8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide

C8M

C8M
Name:	3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e
Formula:	C15 H23 N7 O4
SMILES:	O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O
InChi:	InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1
Synonyms:	5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
Definition date:	2008-07-31
Last modified:	2020-06-17
Identifier:	3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name)

C8P

C8P
Name:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide
Formula:	C38 H67 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2
InChi:	InChI=1S/C38H67NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-31(41)34(43)30(28-47-38-37(46)36(45)35(44)32(27-40)48-38)39-33(42)26-21-15-12-13-17-22-29-23-18-16-19-24-29/h16,18-19,23-24,30-32,34-38,40-41,43-46H,2-15,17,20-22,25-28H2,1H3,(H,39,42)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1
Synonyms:	(2S,3S,4R)-N-PHENYLOCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-07
Last modified:	2020-06-17
Identifier:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide

C8X

C8X
Name:	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
Formula:	C12 H14 O6
SMILES:	OCCOC(=O)c1ccc(cc1)C(=O)OCCO
InChi:	InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
Synonyms:	bis(2-hydroxyethyl) terephthalate
Definition date:	2019-04-16
Last modified:	2020-06-17
Release date:	2020-04-15
Identifier:	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate

CAD

CAD
Name:	CACODYLIC ACID
Formula:	C2 H7 As O2
SMILES:	O=[As](O)(C)C
InChi:	InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
Synonyms:	HYDROXYDIMETHYLARSINE OXIDE
Definition date:	1999-07-26
Last modified:	2020-06-17
Identifier:	dimethylarsinic acid

CAU

CAU
Name:	(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
Formula:	C18 H22 N2 O2
SMILES:	OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2
InChi:	InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1
Synonyms:	(S)-Carazolol
Definition date:	2007-10-10
Last modified:	2020-06-17
Identifier:	(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol

CBQ

CBQ
Name:	[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
Formula:	C6 H9 Cl N2 O6 P2
SMILES:	O=P(O)(O)C(Nc1ncc(Cl)cc1)P(=O)(O)O
InChi:	InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)
Synonyms:	[{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1,1-BISPHOSPHONATE
Definition date:	2004-04-20
Last modified:	2020-06-17
Identifier:	{[(5-chloropyridin-2-yl)amino]methanediyl}bis(phosphonic acid)

CCU

CCU
Name:	(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID
Formula:	C6 H6 O4
SMILES:	O=C(O)C=C/C=CC(=O)O
InChi:	InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
Synonyms:	CIS,CIS-MUCONIC ACID
Definition date:	2005-12-09
Last modified:	2020-06-17
Identifier:	(2Z,4Z)-hexa-2,4-dienedioic acid

CCV

CCV
Name:	6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Formula:	C9 H14 N2 O4
SMILES:	O=C1NC(=C(C(=O)N1)C)CC(CO)CO
InChi:	InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)
Synonyms:	6-(DIHYDROXY-ISOBUTYL)-THYMINE
Definition date:	2000-05-25
Last modified:	2020-06-17
Identifier:	6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione

CCZ

CCZ
Name:	phenyl (4-carbamimidoylbenzyl)phosphonate
Formula:	C14 H15 N2 O3 P
SMILES:	O=P(O)(Oc1ccccc1)Cc2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C14H15N2O3P/c15-14(16)12-8-6-11(7-9-12)10-20(17,18)19-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)(H,17,18)
Synonyms:	phenyl Benzamidine Phosphonate
Definition date:	2010-07-27
Last modified:	2020-06-17
Identifier:	phenyl hydrogen (R)-(4-carbamimidoylbenzyl)phosphonate

6GT

6GT
Name:	2-oxoheptanedioic acid
Formula:	C7 H10 O5
SMILES:	O=C(CCCCC(C(=O)O)=O)O
InChi:	InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)
Synonyms:	2-Ketopimelic acid
Definition date:	2016-04-07
Last modified:	2020-06-17
Release date:	2016-08-17
Identifier:	2-oxoheptanedioic acid

6J0

6J0
Name:	N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
Formula:	C17 H19 F N6
SMILES:	Fc1cccc(c1)CCNCCNc2nc(ncc2)n3ccnc3
InChi:	InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23)
Synonyms:	(N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3-fluorophenethyl)ethane-1,2-diamine
Definition date:	2014-10-21
Last modified:	2020-06-17
Release date:	2014-12-24
Identifier:	N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine

6LF

6LF
Name:	2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
Formula:	C21 H19 Cl2 N5 O2
SMILES:	C[CH](Oc1ccc2[nH]nc(C=Cc3cnn(CCO)c3)c2c1)c4c(Cl)cncc4Cl
InChi:	InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
Synonyms:	LY2874455
Definition date:	2016-05-01
Last modified:	2020-06-17
Release date:	2016-10-05
Identifier:	2-[4-[(~{E})-2-[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

6MK

6MK
Name:	(2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid
Formula:	C17 H15 N3 O4
SMILES:	O=C(c1c(ccnc1)Cc2ccccc2)NNC(=O)C=CC(=O)O
InChi:	InChI=1S/C17H15N3O4/c21-15(6-7-16(22)23)19-20-17(24)14-11-18-9-8-13(14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)(H,20,24)(H,22,23)/b7-6+
Synonyms:	SHF-3
Definition date:	2014-04-09
Last modified:	2020-06-17
Release date:	2014-10-01
Identifier:	(2E)-4-{2-[(4-benzylpyridin-3-yl)carbonyl]hydrazinyl}-4-oxobut-2-enoic acid

6MS

6MS
Name:	[6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]phosphonic acid
Formula:	C11 H18 N5 O4 P
SMILES:	C(CCCCCP(O)(=O)O)n2c1N=C(NC(=O)c1nc2)N
InChi:	InChI=1S/C11H18N5O4P/c12-11-14-9-8(10(17)15-11)13-7-16(9)5-3-1-2-4-6-21(18,19)20/h7H,1-6H2,(H2,18,19,20)(H3,12,14,15,17)
Synonyms:	9-[7-(phosphonoheptyl]guanine
Definition date:	2016-05-09
Last modified:	2020-06-17
Release date:	2016-11-09
Identifier:	[6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]phosphonic acid

6O5

6O5
Name:	3-(furan-2-yl)propanoic acid
Formula:	C7 H8 O3
SMILES:	c1c(occ1)CCC(O)=O
InChi:	InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
Synonyms:	MB605
Definition date:	2015-07-21
Last modified:	2020-06-17
Release date:	2015-08-12
Identifier:	3-(furan-2-yl)propanoic acid

6O7

6O7
Name:	Plicamycin, mithramycin analogue MTM SA-Phe
Formula:	C59 H81 N O24
SMILES:	C1(Cc8c(C(=O)C1OC2OC(C)C(C(C2)OC3OC(C)C(O)C(C3)OC4OC(C)C(O)C(O)(C4)C)O)c(c7c(c(C)c(OC5OC(C)C(O)C(C5)OC6CC(C(C(O6)C)O)O)cc7c8)O)O)C(OC)C(NC(C(OC)=O)Cc9ccccc9)=O
InChi:	InChI=1S/C59H81NO24/c1-24-36(80-41-20-37(49(64)26(3)76-41)81-40-19-35(61)48(63)25(2)75-40)18-32-16-31-17-33(55(73-8)57(70)60-34(58(71)74-9)15-30-13-11-10-12-14-30)54(53(68)46(31)52(67)45(32)47(24)62)84-43-22-38(50(65)28(5)78-43)82-42-21-39(51(66)27(4)77-42)83-44-23-59(7,72)56(69)29(6)79-44/h10-14,16,18,25-29,33-35,37-44,48-51,54-56,61-67,69,72H,15,17,19-23H2,1-9H3,(H,60,70)/t25-,26-,27-,28-,29-,33-,34+,35-,37-,38-,39-,40+,41+,42+,43+,44+,48-,49-,50-,51+,54+,55+,56-,59+/m1/s1
Synonyms:	methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-p yran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4 R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-y l]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name)
Definition date:	2016-05-12
Last modified:	2020-06-17
Release date:	2016-09-14
Identifier:	methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name)

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223166

數據於2024-07-31公開中

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