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AV8

AV8
Name:	2-carboxamido-2-deacetyl-chelocardin
Formula:	C21 H20 N2 O7
SMILES:	Cc1ccc2c(C)c3C[CH]4[CH](N)C(=C(C(N)=O)C(=O)[C]4(O)C(=O)c3c(O)c2c1O)O
InChi:	InChI=1S/C21H20N2O7/c1-6-3-4-8-7(2)9-5-10-14(22)17(26)13(20(23)29)19(28)21(10,30)18(27)12(9)16(25)11(8)15(6)24/h3-4,10,14,24-26,30H,5,22H2,1-2H3,(H2,23,29)/t10-,14+,21-/m1/s1
Synonyms:	(4S,4aR,12aR)-4-azanyl-6,9-dimethyl-3,10,11,12a-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4a,5-dihydro-4H-tetracene-2-carboxamide
Definition date:	2017-08-24
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(4~{S},4~{a}~{R},12~{a}~{R})-4-azanyl-6,9-dimethyl-3,10,11,12~{a}-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4~{a},5-dihydro-4~{H}-tetracene-2-carboxamide

P8F

P8F
Name:	Pentacycline
Formula:	C29 H30 F N3 O7
SMILES:	CN(C)[CH]1[CH]2C[CH]3Cc4cc5ccc(CN6CC(F)C6)cc5c(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O
InChi:	InChI=1S/C29H30FN3O7/c1-32(2)22-18-8-15-7-14-6-13-4-3-12(9-33-10-16(30)11-33)5-17(13)23(34)19(14)24(35)20(15)26(37)29(18,40)27(38)21(25(22)36)28(31)39/h3-6,15-16,18,22,34,36-37,40H,7-11H2,1-2H3,(H2,31,39)/t15-,18-,22-,29-/m0/s1
Synonyms:	(4S,4aS,5aR,14aS)-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14a-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide
Definition date:	2023-02-09
Last modified:	2023-07-25
Release date:	2023-07-26
Identifier:	(4~{S},4~{a}~{S},5~{a}~{R},14~{a}~{S})-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14~{a}-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-pentacene-2-carboxamide

ZS3

ZS3
Name:	(8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C21 H18 F2 N8 O2
SMILES:	Fc1cccnc1N1C=CC=C(Nc2cc(NC)n3ncc(c3n2)C(=O)NC2CC2F)C1=O
InChi:	InChI=1S/C21H18F2N8O2/c1-24-17-9-16(29-18-11(10-26-31(17)18)20(32)28-15-8-13(15)23)27-14-5-3-7-30(21(14)33)19-12(22)4-2-6-25-19/h2-7,9-10,13,15,24H,8H2,1H3,(H,27,29)(H,28,32)/t13-,15+/m0/s1
Definition date:	2023-03-28
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

TXU

TXU
Name:	N-methylmyosmine
Formula:	C10 H12 N2
SMILES:	CN1CCC=C1c1cnccc1
InChi:	InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3
Definition date:	2022-07-29
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(3P)-3-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridine

ZSB

ZSB
Name:	(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C23 H24 N8 O3
SMILES:	COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC1=CC=CN(c2ccccn2)C1=O)NC
InChi:	InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1
Synonyms:	TAK-279
Definition date:	2023-03-28
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide

ZTQ

ZTQ
Name:	(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
Formula:	C15 H14 O3
SMILES:	CC(Oc1ccc(cc1)c1ccccc1)C(=O)O
InChi:	InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid

ZU7

ZU7
Name:	N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
Formula:	C12 H16 F N3 O
SMILES:	O=C(CN1CCNCC1)Nc1ccc(F)cc1
InChi:	InChI=1S/C12H16FN3O/c13-10-1-3-11(4-2-10)15-12(17)9-16-7-5-14-6-8-16/h1-4,14H,5-9H2,(H,15,17)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide

ZUC

ZUC
Name:	3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide
Formula:	C13 H11 F N2 O2
SMILES:	O=C(Nc1c(C)cccc1O)c1ccncc1F
InChi:	InChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide

ZUG

ZUG
Name:	N,N-dimethylpyridine-3-sulfonamide
Formula:	C7 H10 N2 O2 S
SMILES:	O=S(=O)(c1cccnc1)N(C)C
InChi:	InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	N,N-dimethylpyridine-3-sulfonamide

ZUW

ZUW
Name:	1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one
Formula:	C11 H13 N O2
SMILES:	CC(=O)N1Cc2ccccc2OCC1
InChi:	InChI=1S/C11H13NO2/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one

ZUZ

ZUZ
Name:	methyl N-(cyclohexanecarbonyl)glycinate
Formula:	C10 H17 N O3
SMILES:	O=C(NCC(=O)OC)C1CCCCC1
InChi:	InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	methyl N-(cyclohexanecarbonyl)glycinate

ZV2

ZV2
Name:	2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide
Formula:	C11 H11 F N3 O S
SMILES:	Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
InChi:	InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide

ZV5

ZV5
Name:	(5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione
Formula:	C7 H11 N3 O2
SMILES:	O=C1NC(=O)NC21CCCNC2
InChi:	InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m1/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione

ZV8

ZV8
Name:	2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Formula:	C11 H17 N3
SMILES:	CC(C)(C)c1ncc2CNCCc2n1
InChi:	InChI=1S/C11H17N3/c1-11(2,3)10-13-7-8-6-12-5-4-9(8)14-10/h7,12H,4-6H2,1-3H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

ZVB

ZVB
Name:	2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
Formula:	C10 H12 N2
SMILES:	CC(C)c1cc2ncccc2[NH]1
InChi:	InChI=1S/C10H12N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-7,12H,1-2H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine

ZVE

ZVE
Name:	(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
Formula:	C10 H14 F3 N3
SMILES:	Cn1cc(nc1C1CNCCC1)C(F)(F)F
InChi:	InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

ZVH

ZVH
Name:	(1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid
Formula:	C10 H12 O2 S
SMILES:	O=C(O)C1CCCC1c1ccsc1
InChi:	InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m0/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid

ZVK

ZVK
Name:	ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate
Formula:	C12 H18 N2 S
SMILES:	CNC(/SCC)=N/c1ccc(cc1)CC
InChi:	InChI=1S/C12H18N2S/c1-4-10-6-8-11(9-7-10)14-12(13-3)15-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate

ZVN

ZVN
Name:	2-(piperazin-1-yl)-1,3-benzothiazole
Formula:	C11 H13 N3 S
SMILES:	c1cccc2sc(nc12)N1CCNCC1
InChi:	InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-(piperazin-1-yl)-1,3-benzothiazole

W38

W38
Name:	5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine
Formula:	C21 H26 F3 N5 O2
SMILES:	CC(C)c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cnc(N)c(OC(F)(F)F)c5
InChi:	InChI=1S/C21H26F3N5O2/c1-13(2)18-27-15(14-7-16(17(25)26-8-14)31-21(22,23)24)9-29(18)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,3-6,10-12H2,1-2H3,(H2,25,26)/t19-,20+
Definition date:	2023-04-26
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine

ZW5

ZW5
Name:	1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
Formula:	C12 H17 F N2 O
SMILES:	COc1ccc(cc1F)CN1CCNCC1
InChi:	InChI=1S/C12H17FN2O/c1-16-12-3-2-10(8-11(12)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

W3C

W3C
Name:	(1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol
Formula:	C16 H13 F7 N4 O2
SMILES:	Nc1ncc(cc1OC(F)(F)F)c2cn(c(n2)[CH](O)C(F)(F)F)C34CC(F)(C3)C4
InChi:	InChI=1S/C16H13F7N4O2/c17-13-4-14(5-13,6-13)27-3-8(26-12(27)10(28)15(18,19)20)7-1-9(11(24)25-2-7)29-16(21,22)23/h1-3,10,28H,4-6H2,(H2,24,25)/t10-,13-,14+/m1/s1
Definition date:	2023-04-26
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(1~{R})-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol

W3I

W3I
Name:	(1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol
Formula:	C22 H28 F3 N5 O3
SMILES:	CC(C)[CH](O)c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cnc(N)c(OC(F)(F)F)c5
InChi:	InChI=1S/C22H28F3N5O3/c1-13(2)17(31)19-28-15(14-7-16(18(26)27-8-14)33-22(23,24)25)9-30(19)21-10-20(11-21,12-21)29-3-5-32-6-4-29/h7-9,13,17,31H,3-6,10-12H2,1-2H3,(H2,26,27)/t17-,20-,21+/m0/s1
Definition date:	2023-04-26
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(1~{S})-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol

ZHO

ZHO
Name:	~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
Formula:	C26 H29 N9
SMILES:	CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6
InChi:	InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)
Definition date:	2023-06-23
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

W78

W78
Name:	3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one
Formula:	C20 H22 F N9 O10 P2 S2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](O)[CH](CO[P](S)(=O)O[CH]4[CH]3F)O[CH]5n6cnc7C(=O)NN=Cc67
InChi:	InChI=1S/C20H22FN9O10P2S2/c21-10-14-9(38-19(10)30-6-26-12-16(22)23-4-24-17(12)30)3-36-42(34,44)40-15-13(31)8(2-35-41(33,43)39-14)37-20(15)29-5-25-11-7(29)1-27-28-18(11)32/h1,4-6,8-10,13-15,19-20,31H,2-3H2,(H,28,32)(H,33,43)(H,34,44)(H2,22,23,24)/t8-,9-,10-,13-,14-,15-,19-,20-,41-,42-/m1/s1
Definition date:	2023-05-09
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one

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227111

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