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WMX

WMX
Name:	(4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione
Formula:	C22 H32 O8
SMILES:	CCOCOc1cc(O)c2C(=O)O[CH](C)CCCC(=O)[CH](O)[CH](O)CCCCc2c1
InChi:	InChI=1S/C22H32O8/c1-3-28-13-29-16-11-15-8-4-5-9-17(23)21(26)18(24)10-6-7-14(2)30-22(27)20(15)19(25)12-16/h11-12,14,17,21,23,25-26H,3-10,13H2,1-2H3/t14-,17?,21?/m0/s1
Definition date:	2023-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione

WN2

WN2
Name:	(4~{S},9~{S},10~{S})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione
Formula:	C19 H26 O7
SMILES:	C[CH]1CCCC(=O)[CH](O)[CH](O)CCCCc2cc(O)cc(O)c2C(=O)O1
InChi:	InChI=1S/C19H26O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h9-11,14,18,20-21,23-24H,2-8H2,1H3/t11-,14?,18?/m0/s1
Definition date:	2023-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(4~{S},9~{S},10~{S})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione

WN8

WN8
Name:	(6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione
Formula:	C18 H24 O8
SMILES:	C[CH]1CCCC(=O)[CH](O)[CH](O)CCCOc2cc(O)cc(O)c2C(=O)O1
InChi:	InChI=1S/C18H24O8/c1-10-4-2-5-12(20)17(23)13(21)6-3-7-25-15-9-11(19)8-14(22)16(15)18(24)26-10/h8-10,13,17,19,21-23H,2-7H2,1H3/t10-,13?,17+/m0/s1
Definition date:	2023-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione

A1EEY

A1EEY
Name:	1-(4-chlorophenyl)sulfonyl-3-propyl-urea
Formula:	C10 H13 Cl N2 O3 S
SMILES:	CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1
InChi:	InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
Synonyms:	Chloropropamide
Definition date:	2024-11-01
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-(4-chlorophenyl)sulfonyl-3-propyl-urea

WNC

WNC
Name:	(5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione
Formula:	C17 H22 O8
SMILES:	C[CH]1CCCC(=O)[CH](O)[CH](O)CCOc2cc(O)cc(O)c2C(=O)O1
InChi:	InChI=1S/C17H22O8/c1-9-3-2-4-11(19)16(22)12(20)5-6-24-14-8-10(18)7-13(21)15(14)17(23)25-9/h7-9,12,16,18,20-22H,2-6H2,1H3/t9-,12-,16-/m0/s1
Definition date:	2023-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione

A1EGB

A1EGB
Name:	5-chloranyl-2~{H}-indazole
Formula:	C7 H5 Cl N2
SMILES:	Clc1ccc2n[nH]cc2c1
InChi:	InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
Definition date:	2024-11-22
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	5-chloranyl-2~{H}-indazole

A1EJU

A1EJU
Name:	3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one
Formula:	C16 H12 F N5 O2
SMILES:	COc1ccnc2c1NC(=O)C(=C2c3ccc(F)c4n[nH]cc34)N
InChi:	InChI=1S/C16H12FN5O2/c1-24-10-4-5-19-15-11(12(18)16(23)21-14(10)15)7-2-3-9(17)13-8(7)6-20-22-13/h2-6H,18H2,1H3,(H,20,22)(H,21,23)
Definition date:	2025-01-17
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-azanyl-4-(7-fluoranyl-2~{H}-indazol-4-yl)-8-methoxy-1~{H}-1,5-naphthyridin-2-one

A1EJV

A1EJV
Name:	3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one
Formula:	C15 H9 Cl F N5 O
SMILES:	NC1=C(c2ccc(F)c3[nH]ncc23)c4ncc(Cl)cc4NC1=O
InChi:	InChI=1S/C15H9ClFN5O/c16-6-3-10-14(19-4-6)11(12(18)15(23)21-10)7-1-2-9(17)13-8(7)5-20-22-13/h1-5H,18H2,(H,20,22)(H,21,23)
Definition date:	2025-01-17
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-azanyl-7-chloranyl-4-(7-fluoranyl-1~{H}-indazol-4-yl)-1~{H}-1,5-naphthyridin-2-one

WQ9

WQ9
Name:	1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone
Formula:	C15 H17 Br Cl F N2 O3 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CC[C]3(CCN(C3)C(=O)CCl)C2
InChi:	InChI=1S/C15H17BrClFN2O3S/c16-12-2-1-11(7-13(12)18)24(22,23)20-6-4-15(10-20)3-5-19(9-15)14(21)8-17/h1-2,7H,3-6,8-10H2/t15-/m1/s1
Definition date:	2023-10-10
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone

A1H7Q

A1H7Q
Name:	1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one
Formula:	C13 H17 N O
SMILES:	CCC(=O)N1CCC[CH]1c2ccccc2
InChi:	InChI=1S/C13H17NO/c1-2-13(15)14-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m1/s1
Definition date:	2024-04-04
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-[(2~{R})-2-phenylpyrrolidin-1-yl]propan-1-one

A1IAE

A1IAE
Name:	(4-chlorophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone
Formula:	C21 H13 Cl O3 S
SMILES:	Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C21H13ClO3S/c22-14-5-1-12(2-6-14)20(25)19-17-10-9-16(24)11-18(17)26-21(19)13-3-7-15(23)8-4-13/h1-11,23-24H
Synonyms:	(4-Chlorophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]methanone
Definition date:	2024-05-07
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(4-chlorophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone

A1IAF

A1IAF
Name:	[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-morpholin-4-ylethylamino)phenyl]methanone
Formula:	C27 H26 N2 O4 S
SMILES:	Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccccc4NCCN5CCOCC5
InChi:	InChI=1S/C27H26N2O4S/c30-19-7-5-18(6-8-19)27-25(22-10-9-20(31)17-24(22)34-27)26(32)21-3-1-2-4-23(21)28-11-12-29-13-15-33-16-14-29/h1-10,17,28,30-31H,11-16H2
Synonyms:	[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]{2-[(2-morpholinoethyl)amino]phenyl}methanone
Definition date:	2024-05-07
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-morpholin-4-ylethylamino)phenyl]methanone

TJQ

TJQ
Name:	ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate
Formula:	C20 H24 N2 O5
SMILES:	CCOC(=O)c1c(C)[nH]c(c1C)C(=O)N(CC)Cc2ccc3OCOc3c2
InChi:	InChI=1S/C20H24N2O5/c1-5-22(10-14-7-8-15-16(9-14)27-11-26-15)19(23)18-12(3)17(13(4)21-18)20(24)25-6-2/h7-9,21H,5-6,10-11H2,1-4H3
Definition date:	2023-01-06
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate

A1IIU

A1IIU
Name:	(3Z)-7-chloro-10,21-dihydroxy-2,2-dioxo-18-(4-piperidyl)-2-lambda-6,5-dithia-3,12,18-triazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one
Formula:	C24 H27 Cl N4 O5 S2
SMILES:	Oc1ccc2cc1C(=O)N(CCCCCN3C(=N[S]2(=O)=O)Sc4c(Cl)ccc(O)c34)C5CCNCC5
InChi:	InChI=1S/C24H27ClN4O5S2/c25-18-5-7-20(31)21-22(18)35-24-27-36(33,34)16-4-6-19(30)17(14-16)23(32)28(15-8-10-26-11-9-15)12-2-1-3-13-29(21)24/h4-7,14-15,26,30-31H,1-3,8-13H2/b27-24-
Synonyms:	19-chloro-6,16-dihydroxy-2,2,8-trioxo-9-(piperidin-4-yl)-1,8,9,10,11,12,13,14-octahydro-2H-3,7-(metheno)-2-lambda-6-[1,2,4,10]thiatriazacyclohexadecino[3,4-b][1,3]benzothiazol-15-ium
Definition date:	2024-07-19
Last modified:	2025-04-11
Release date:	2025-04-16

A1ILA

A1ILA
Name:	11-(4-aminocyclohexyl)-16-chloro-1,15-dihydroxy-10,10-dioxo-10lambda6-thia-2,11lambda6-diaza-1lambda6,15lambda6-diphospha-3-phosphoniapentacyclo[7.5.1.01,15.03,15.013,15]hexadecan-12-one
Formula:	C25 H30 Cl N4 O5 S2
SMILES:	N[CH]1CC[CH](CC1)N2CCCCC[n+]3c(N[S](=O)(=O)c4ccc(O)c(c4)C2=O)sc5c(Cl)ccc(O)c35
InChi:	InChI=1S/C25H29ClN4O5S2/c26-19-9-11-21(32)22-23(19)36-25-28-37(34,35)17-8-10-20(31)18(14-17)24(33)29(12-2-1-3-13-30(22)25)16-6-4-15(27)5-7-16/h8-11,14-16H,1-7,12-13,27H2,(H2,31,32,33)/p+1/b28-25-/t15-,16+
Definition date:	2024-08-14
Last modified:	2025-04-11
Release date:	2025-04-16

A1ILF

A1ILF
Name:	(3Z)-18-(4-aminocyclohexyl)-21-[4-(4-amino-1-piperidyl)-1-piperidyl]-7-chloro-10-hydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one
Formula:	C34 H47 Cl N8 O4 S2
SMILES:	N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CC[CH](CC5)N6CC[CH](N)CC6)c(c4)C2=O)Sc7c(Cl)ccc(O)c37
InChi:	InChI=1S/C34H47ClN8O4S2/c35-28-8-9-29(44)30-31(28)48-34-39-49(46,47)26-20-27(32(38-21-26)41-18-12-24(13-19-41)40-16-10-23(37)11-17-40)33(45)42(14-2-1-3-15-43(30)34)25-6-4-22(36)5-7-25/h8-9,20-25,44H,1-7,10-19,36-37H2/b39-34-/t22-,25+
Definition date:	2024-08-15
Last modified:	2025-04-11
Release date:	2025-04-16

A1IMA

A1IMA
Name:	(3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-piperazin-1-yl-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one
Formula:	C28 H36 Cl N7 O4 S2
SMILES:	N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CCNCC5)c(c4)C2=O)Sc6c(Cl)ccc(O)c36
InChi:	InChI=1S/C28H36ClN7O4S2/c29-22-8-9-23(37)24-25(22)41-28-33-42(39,40)20-16-21(26(32-17-20)34-14-10-31-11-15-34)27(38)35(12-2-1-3-13-36(24)28)19-6-4-18(30)5-7-19/h8-9,16-19,31,37H,1-7,10-15,30H2/b33-28-/t18-,19+
Definition date:	2024-08-20
Last modified:	2025-04-11
Release date:	2025-04-16

A1IMB

A1IMB
Name:	(3E,15S)-17-(cis-4-aminocyclohexyl)-7-chloro-10,15,20-trihydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,17-triazatetracyclo[17.3.1.04,12.06,11]tricosa-1(22),3,6(11),7,9,19(23),20-heptaen-18-one
Formula:	C24 H27 Cl N4 O6 S2
SMILES:	N[CH]1CC[CH](CC1)N2C[CH](O)CCN3C(=N[S](=O)(=O)c4ccc(O)c(c4)C2=O)Sc5c(Cl)ccc(O)c35
InChi:	InChI=1S/C24H27ClN4O6S2/c25-18-6-8-20(32)21-22(18)36-24-27-37(34,35)16-5-7-19(31)17(11-16)23(33)29(12-15(30)9-10-28(21)24)14-3-1-13(26)2-4-14/h5-8,11,13-15,30-32H,1-4,9-10,12,26H2/b27-24-/t13-,14+,15-/m0/s1
Definition date:	2024-08-20
Last modified:	2025-04-11
Release date:	2025-04-16

A1IRQ

A1IRQ
Name:	(2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
Formula:	C22 H24 N2 O6 S
SMILES:	OC(=O)[CH]1CC[CH](N1C(=O)CNC(=O)[CH](S)Cc2ccc(O)cc2)c3cccc(O)c3
InChi:	InChI=1S/C22H24N2O6S/c25-15-6-4-13(5-7-15)10-19(31)21(28)23-12-20(27)24-17(8-9-18(24)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,25-26,31H,8-10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
Definition date:	2024-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

A1IRR

A1IRR
Name:	(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
Formula:	C23 H26 N2 O4 S
SMILES:	Cc1ccc(cc1)[CH]2CC[CH](N2C(=O)CNC(=O)[CH](S)Cc3ccccc3)C(O)=O
InChi:	InChI=1S/C23H26N2O4S/c1-15-7-9-17(10-8-15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-5-3-2-4-6-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1
Definition date:	2024-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

A1IRS

A1IRS
Name:	(2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid
Formula:	C26 H32 N4 O4 S
SMILES:	NCCCC[CH](NC(=O)[CH](S)Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O
InChi:	InChI=1S/C26H32N4O4S/c27-13-7-6-12-21(29-25(32)23(35)14-17-8-2-1-3-9-17)24(31)30-22(26(33)34)15-18-16-28-20-11-5-4-10-19(18)20/h1-5,8-11,16,21-23,28,35H,6-7,12-15,27H2,(H,29,32)(H,30,31)(H,33,34)/t21-,22-,23-/m0/s1
Definition date:	2024-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid

A1JAQ

A1JAQ
Name:	1-amino-1,6-dideoxy-beta-L-galacto-hexopyranose
Formula:	C6 H13 N O4
SMILES:	C[CH]1O[CH](N)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5-,6-/m0/s1
Synonyms:	1-amino-1-deoxy-b-L-fucopyranoside
Definition date:	2025-04-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-azanyl-6-methyl-oxane-3,4,5-triol

A1L1O

A1L1O
Name:	1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one
Formula:	C19 H18 F3 N O
SMILES:	CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F
InChi:	InChI=1S/C19H18F3NO/c1-2-18(24)23-10-9-14-3-4-15(11-16(14)12-23)13-5-7-17(8-6-13)19(20,21)22/h3-8,11H,2,9-10,12H2,1H3
Definition date:	2024-05-08
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one

A1L8X

A1L8X
Name:	3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula:	C17 H14 O7
SMILES:	COc1ccc(cc1O)C2=C(OC)C(=O)c3c(O)cc(O)cc3O2
InChi:	InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
Definition date:	2025-04-02
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one

A1A1Y

A1A1Y
Name:	(2S)-N-[2-(2-amino-1H-1,3-benzimidazol-5-yl)ethyl]-1-[(2R,4S)-4-phenylpiperidine-2-carbonyl]azetidine-2-carboxamide
Formula:	C25 H30 N6 O2
SMILES:	O=C(NCCc1ccc2[NH]c(N)nc2c1)C1CCN1C(=O)C1CC(CCN1)c1ccccc1
InChi:	InChI=1S/C25H30N6O2/c26-25-29-19-7-6-16(14-20(19)30-25)8-11-28-23(32)22-10-13-31(22)24(33)21-15-18(9-12-27-21)17-4-2-1-3-5-17/h1-7,14,18,21-22,27H,8-13,15H2,(H,28,32)(H3,26,29,30)/t18-,21+,22-/m0/s1
Definition date:	2024-08-13
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2S)-N-[2-(2-amino-1H-1,3-benzimidazol-5-yl)ethyl]-1-[(2R,4S)-4-phenylpiperidine-2-carbonyl]azetidine-2-carboxamide

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243531

數據於2025-10-22公開中

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