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N5X

N5X
Name:	3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid
Formula:	C26 H26 Cl N3 O3
SMILES:	Cc1ccc(C)c(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Cl)cc4)C(O)=O
InChi:	InChI=1S/C26H26ClN3O3/c1-17-3-4-18(2)24(15-17)30-13-11-29(12-14-30)23-10-7-20(26(32)33)16-22(23)28-25(31)19-5-8-21(27)9-6-19/h3-10,15-16H,11-14H2,1-2H3,(H,28,31)(H,32,33)
Definition date:	2023-01-11
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid

A0I

A0I
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[oxidanyl(phosphonooxy)phosphoryl]phosphonamidic acid
Formula:	C9 H17 N4 O13 P3
SMILES:	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(16)11-5)8-7(15)6(14)4(25-8)3-24-27(17,18)12-28(19,20)26-29(21,22)23/h1-2,4,6-8,14-15H,3H2,(H2,10,11,16)(H2,21,22,23)(H3,12,17,18,19,20)/t4-,6-,7-,8-/m1/s1
Definition date:	2023-07-17
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[oxidanyl(phosphonooxy)phosphoryl]phosphonamidic acid

MXV

MXV
Name:	2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine
Formula:	C24 H22 N4 O3
SMILES:	COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5n(C)ccc45
InChi:	InChI=1S/C24H22N4O3/c1-28-11-9-15-16(6-5-7-18(15)28)24-26-17-8-10-25-21(22(17)27-24)14-12-19(29-2)23(31-4)20(13-14)30-3/h5-13H,1-4H3,(H,26,27)
Definition date:	2023-01-06
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine

SG0

SG0
Name:	4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
Formula:	C13 H17 N3 O2 S
SMILES:	CC(C)Oc1ccc([CH](N)O)c2cc(sc12)C(N)=N
InChi:	InChI=1S/C13H17N3O2S/c1-6(2)18-9-4-3-7(13(16)17)8-5-10(12(14)15)19-11(8)9/h3-6,13,17H,16H2,1-2H3,(H3,14,15)/t13-/m1/s1
Definition date:	2022-12-15
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide

SIT

SIT
Name:	De-acetylated Fusicoccin
Formula:	C34 H54 O11
SMILES:	COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)COC(C)=O
InChi:	InChI=1S/C34H54O11/c1-9-33(5,6)43-16-24-28(38)29(39)30(40)32(44-24)45-31-26-22(17(2)14-42-19(4)35)12-25(36)34(26,7)13-23-20(15-41-8)10-11-21(23)18(3)27(31)37/h9,13,17-18,20-21,24-25,27-32,36-40H,1,10-12,14-16H2,2-8H3/b23-13-/t17-,18-,20-,21+,24-,25+,27-,28-,29+,30-,31-,32-,34+/m1/s1
Synonyms:	[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate
Definition date:	2022-12-15
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate

SJ4

SJ4
Name:	Fusicoccin J-acetonide
Formula:	C30 H50 O9
SMILES:	COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(C[CH](O)[C]5(C)C[CH]12)C(C)C
InChi:	InChI=1S/C30H50O9/c1-14(2)18-10-21(31)30(6)11-19-16(12-35-7)8-9-17(19)15(3)23(32)27(22(18)30)38-28-25(34)24(33)26-20(37-28)13-36-29(4,5)39-26/h14-17,19-21,23-28,31-34H,8-13H2,1-7H3/t15-,16-,17+,19-,20-,21+,23-,24-,25-,26-,27-,28-,30+/m1/s1
Synonyms:	(4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
Definition date:	2022-12-15
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	(4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

98A

98A
Name:	6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine
Formula:	C18 H19 N9
SMILES:	Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncccn5)c3c2
InChi:	InChI=1S/C18H19N9/c1-24-11-15(10-22-24)14-9-16-17(21-13-23-27(16)12-14)25-5-7-26(8-6-25)18-19-3-2-4-20-18/h2-4,9-13H,5-8H2,1H3
Definition date:	2023-07-14
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine

9JI

9JI
Name:	(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
Formula:	C26 H27 F N10
SMILES:	Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(cn5)[C](C)(N)c6ccc(F)cc6)c3c2
InChi:	InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1
Definition date:	2023-07-14
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine

9KI

9KI
Name:	methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate
Formula:	C28 H29 F N10 O2
SMILES:	COC(=O)N[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6
InChi:	InChI=1S/C28H29FN10O2/c1-28(35-27(40)41-3,21-4-6-23(29)7-5-21)22-14-30-26(31-15-22)38-10-8-37(9-11-38)25-24-12-19(17-39(24)34-18-32-25)20-13-33-36(2)16-20/h4-7,12-18H,8-11H2,1-3H3,(H,35,40)/t28-/m0/s1
Definition date:	2023-07-14
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate

SRC

SRC
Name:	[[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C11 H20 N5 O14 P3
SMILES:	CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
InChi:	InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7+,10-/m1/s1
Definition date:	2022-12-19
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	[[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

SVO

SVO
Name:	4-(dimethylamino)-~{N}-nitro-benzenesulfonamide
Formula:	C8 H11 N3 O4 S
SMILES:	CN(C)c1ccc(cc1)[S](=O)(=O)N[N+]([O-])=O
InChi:	InChI=1S/C8H11N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6,9H,1-2H3
Definition date:	2022-12-19
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	4-(dimethylamino)-~{N}-nitro-benzenesulfonamide

SY0

SY0
Name:	(2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide
Formula:	C15 H21 N5 O3
SMILES:	CCNC(=O)[CH](C)NC(=O)Cn1cc(cn1)c2c(C)onc2C
InChi:	InChI=1S/C15H21N5O3/c1-5-16-15(22)10(3)18-13(21)8-20-7-12(6-17-20)14-9(2)19-23-11(14)4/h6-7,10H,5,8H2,1-4H3,(H,16,22)(H,18,21)/t10-/m0/s1
Definition date:	2022-12-20
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	(2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide

UCH

UCH
Name:	1-pyridin-4-ylpiperidine-4-carboxylic acid
Formula:	C11 H14 N2 O2
SMILES:	OC(=O)C1CCN(CC1)c2ccncc2
InChi:	InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
Definition date:	2023-05-26
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	1-pyridin-4-ylpiperidine-4-carboxylic acid

UF5

UF5
Name:	6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide
Formula:	C8 H9 Cl N2 O2 S2
SMILES:	Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3
InChi:	InChI=1S/C8H9ClN2O2S2/c9-7-3-6-8(14-7)15(12,13)10-4-11(6)5-1-2-5/h3,5,10H,1-2,4H2
Definition date:	2023-09-05
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide

A1LU6

A1LU6
Name:	5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one
Formula:	C19 H15 Cl N4 O
SMILES:	Nc1n[nH]c2cc(ccc12)C3=CN(Cc4cccc(Cl)c4)C(=O)C=C3
InChi:	InChI=1S/C19H15ClN4O/c20-15-3-1-2-12(8-15)10-24-11-14(5-7-18(24)25)13-4-6-16-17(9-13)22-23-19(16)21/h1-9,11H,10H2,(H3,21,22,23)
Definition date:	2023-12-15
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one

HVI

HVI
Name:	6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one
Formula:	C18 H16 N8 O S
SMILES:	Nc1cccc(n1)CN1N=Cc2c(C1=O)n(C)c1nc(Cc3cc[NH]n3)sc12
InChi:	InChI=1S/C18H16N8OS/c1-25-15-12(16-17(25)23-14(28-16)7-10-5-6-20-24-10)8-21-26(18(15)27)9-11-3-2-4-13(19)22-11/h2-6,8H,7,9H2,1H3,(H2,19,22)(H,20,24)
Definition date:	2023-07-21
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one

I07

I07
Name:	{6-[(3-methoxyphenyl)methyl]-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-2-yl}(methyl)sulfaniumolate
Formula:	C18 H17 N3 O3 S2
SMILES:	COc1cccc(c1)CN1N=Cc2c(C1=O)n(C)c1cc(sc12)[S+]([O-])C
InChi:	InChI=1S/C18H17N3O3S2/c1-20-14-8-15(26(3)23)25-17(14)13-9-19-21(18(22)16(13)20)10-11-5-4-6-12(7-11)24-2/h4-9H,10H2,1-3H3/t26-/m1/s1
Definition date:	2023-07-24
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	{6-[(3-methoxyphenyl)methyl]-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-2-yl}(methyl)sulfaniumolate

I0R

I0R
Name:	6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one
Formula:	C16 H14 N4 O2 S
SMILES:	Oc1ccc(cc1)CN1N=Cc2c(C1=O)n(C)c1nc(C)sc12
InChi:	InChI=1S/C16H14N4O2S/c1-9-18-15-14(23-9)12-7-17-20(16(22)13(12)19(15)2)8-10-3-5-11(21)6-4-10/h3-7,21H,8H2,1-2H3
Definition date:	2023-07-24
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one

V9U

V9U
Name:	3-azanyl-6-chloranyl-isoindol-1-one
Formula:	C8 H5 Cl N2 O
SMILES:	NC1=NC(=O)c2cc(Cl)ccc12
InChi:	InChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12)
Definition date:	2023-09-11
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	3-azanyl-6-chloranyl-isoindol-1-one

VLK

VLK
Name:	(2R)-2-[[methanoyl(oxidanyl)amino]methyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide
Formula:	C19 H35 N3 O4 S
SMILES:	CCCCC[CH](CN(O)C=O)C(=O)N[CH](C(C)C)C(=O)N1CCCC1CS
InChi:	InChI=1S/C19H35N3O4S/c1-4-5-6-8-15(11-21(26)13-23)18(24)20-17(14(2)3)19(25)22-10-7-9-16(22)12-27/h13-17,26-27H,4-12H2,1-3H3,(H,20,24)/t15-,16?,17+/m1/s1
Definition date:	2023-03-15
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	(2~{R})-2-[[methanoyl(oxidanyl)amino]methyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide

VMK

VMK
Name:	2-[4-(3-fluorophenyl)phenyl]ethanamine
Formula:	C14 H14 F N
SMILES:	NCCc1ccc(cc1)c2cccc(F)c2
InChi:	InChI=1S/C14H14FN/c15-14-3-1-2-13(10-14)12-6-4-11(5-7-12)8-9-16/h1-7,10H,8-9,16H2
Definition date:	2023-09-14
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	2-[4-(3-fluorophenyl)phenyl]ethanamine

VMT

VMT
Name:	2-(4-bromophenyl)ethanamine
Formula:	C8 H10 Br N
SMILES:	NCCc1ccc(Br)cc1
InChi:	InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
Synonyms:	4-Bromophenethylamine
Definition date:	2023-09-14
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	2-(4-bromophenyl)ethanamine

VOT

VOT
Name:	(2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide
Formula:	C31 H44 N6 O6
SMILES:	CCc1ccc(NNc2ccc(CC(=O)N[CH]([CH](C)O)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O)cc2)cc1
InChi:	InChI=1S/C31H44N6O6/c1-4-21-6-10-23(11-7-21)36-37-24-12-8-22(9-13-24)17-28(41)35-29(20(3)38)31(43)34-26-18-25(39)15-16-32-27(40)14-5-19(2)33-30(26)42/h6-13,19-20,25-26,29,36-39H,4-5,14-18H2,1-3H3,(H,32,40)(H,33,42)(H,34,43)(H,35,41)/t19-,20+,25-,26-,29-/m0/s1
Definition date:	2023-03-22
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	(2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide

VOX

VOX
Name:	~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide
Formula:	C35 H52 N6 O6
SMILES:	C[CH](O)[CH](NC(=O)CCCCCCc1ccc(NNc2ccc(C)cc2)cc1)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O
InChi:	InChI=1S/C35H52N6O6/c1-23-10-15-27(16-11-23)40-41-28-17-13-26(14-18-28)8-6-4-5-7-9-32(45)39-33(25(3)42)35(47)38-30-22-29(43)20-21-36-31(44)19-12-24(2)37-34(30)46/h10-11,13-18,24-25,29-30,33,40-43H,4-9,12,19-22H2,1-3H3,(H,36,44)(H,37,46)(H,38,47)(H,39,45)/t24-,25+,29-,30-,33-/m0/s1
Definition date:	2023-03-22
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide

W6B

W6B
Name:	2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid
Formula:	C19 H13 Cl F N O2
SMILES:	OC(=O)c1cc(F)ccc1Nc2cccc(Cl)c2c3ccccc3
InChi:	InChI=1S/C19H13ClFNO2/c20-15-7-4-8-17(18(15)12-5-2-1-3-6-12)22-16-10-9-13(21)11-14(16)19(23)24/h1-11,22H,(H,23,24)
Definition date:	2023-09-20
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid

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