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PDB Info pages Status search Chemie search: 43884 results BIRD

A1IWF

A1IWF
Name:	(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole
Formula:	C18 H16 F3 N O2
SMILES:	C[C]1(COCc2c(F)cccc2F)CC(=NO1)c3ccccc3F
InChi:	InChI=1S/C18H16F3NO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3/t18-/m0/s1
Definition date:	2024-12-10
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole

A1IYE

A1IYE
Name:	2-[3-[(2~{R})-3-(4-bromophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-furan-2-yl]phenoxy]ethanoic acid
Formula:	C18 H13 Br O6
SMILES:	OC(=O)COc1cccc(c1)[CH]2OC(=O)C(=C2c3ccc(Br)cc3)O
InChi:	InChI=1S/C18H13BrO6/c19-12-6-4-10(5-7-12)15-16(22)18(23)25-17(15)11-2-1-3-13(8-11)24-9-14(20)21/h1-8,17,22H,9H2,(H,20,21)/t17-/m1/s1
Definition date:	2025-01-10
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	2-[3-[(2~{R})-3-(4-bromophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-furan-2-yl]phenoxy]ethanoic acid

A1AQY

A1AQY
Name:	N-{(1R,2P)-6-chloro-5-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorocyclohexa-2,3,5-trien-1-yl}-3-fluoroazetidine-1-sulfonamide
Formula:	C18 H15 Cl2 F2 N5 O3 S
SMILES:	O=S(=O)(Nc1ccc(F)c(Nc2ccc3N=CN(C)C(=O)c3c2Cl)c1Cl)N1CC(F)C1
InChi:	InChI=1S/C18H15Cl2F2N5O3S/c1-26-8-23-11-4-5-12(15(19)14(11)18(26)28)24-17-10(22)2-3-13(16(17)20)25-31(29,30)27-6-9(21)7-27/h2-5,8-9,24-25H,6-7H2,1H3
Definition date:	2024-05-08
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	N-{2-chloro-3-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoroazetidine-1-sulfonamide

A1AR6

A1AR6
Name:	(3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[(2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-2-azaspiro[4.5]decane-3-carboxamide
Formula:	C25 H40 F3 N5 O4
SMILES:	O=C1NCCC1CC(CN)NC(=O)C1CC2(CCCCC2)CN1C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C25H40F3N5O4/c1-23(2,3)18(32-22(37)25(26,27)28)21(36)33-14-24(8-5-4-6-9-24)12-17(33)20(35)31-16(13-29)11-15-7-10-30-19(15)34/h15-18H,4-14,29H2,1-3H3,(H,30,34)(H,31,35)(H,32,37)/t15-,16-,17-,18+/m0/s1
Definition date:	2024-05-15
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[(2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-2-azaspiro[4.5]decane-3-carboxamide (non-preferred name)

A1AR7

A1AR7
Name:	N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyridin-3-yl)acetamide
Formula:	C17 H17 Cl3 N2 O
SMILES:	Clc1cc(cnc1)N(C(=O)C(Cl)Cl)c1ccc(cc1)C(C)(C)C
InChi:	InChI=1S/C17H17Cl3N2O/c1-17(2,3)11-4-6-13(7-5-11)22(16(23)15(19)20)14-8-12(18)9-21-10-14/h4-10,15H,1-3H3
Definition date:	2024-05-15
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyridin-3-yl)acetamide

A1AR9

A1AR9
Name:	N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide
Formula:	C19 H13 Cl2 F N2 O
SMILES:	Clc1cc(cnc1)N(C(=O)CF)c1cc(ccc1)c1cccc(Cl)c1
InChi:	InChI=1S/C19H13Cl2FN2O/c20-15-5-1-3-13(7-15)14-4-2-6-17(8-14)24(19(25)10-22)18-9-16(21)11-23-12-18/h1-9,11-12H,10H2
Definition date:	2024-05-15
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide

A1ARR

A1ARR
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(1S,2R)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-cyclohexyl-L-alaninamide
Formula:	C39 H53 N5 O8
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)c1nc2ccccc2o1
InChi:	InChI=1S/C39H53N5O8/c1-24(52-39(2,3)4)32(44-38(49)50-23-26-15-9-6-10-16-26)36(48)42-30(21-25-13-7-5-8-14-25)35(47)41-29(22-27-19-20-40-34(27)46)33(45)37-43-28-17-11-12-18-31(28)51-37/h6,9-12,15-18,24-25,27,29-30,32-33,45H,5,7-8,13-14,19-23H2,1-4H3,(H,40,46)(H,41,47)(H,42,48)(H,44,49)/t24-,27+,29-,30+,32?,33+/m1/s1
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(1S,2R)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-cyclohexyl-L-alaninamide

A1ARU

A1ARU
Name:	O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:	C26 H42 F3 N5 O5
SMILES:	FC(F)(F)C(=O)NC(C(C)OC(C)(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C26H42F3N5O5/c1-15(39-25(2,3)4)20(34-24(38)26(27,28)29)23(37)33-19(12-16-8-6-5-7-9-16)22(36)32-18(14-30)13-17-10-11-31-21(17)35/h14-20,30H,5-13H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)/b30-14+/t15-,17+,18-,19+,20+/m1/s1
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

A1ARV

A1ARV
Name:	(1H-indol-4-yl)methanol
Formula:	C9 H9 N O S
SMILES:	OC(S)c1cccc2[NH]ccc12
InChi:	InChI=1S/C9H9NOS/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,9-12H/t9-/m1/s1
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(R)-(1H-indol-4-yl)(sulfanyl)methanol

A1ARY

A1ARY
Name:	(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide
Formula:	C19 H14 Cl2 N2 O2 S
SMILES:	Clc1cc(cnc1)N(C(=O)C(O)S)c1cc(ccc1)c1cccc(Cl)c1
InChi:	InChI=1S/C19H14Cl2N2O2S/c20-14-5-1-3-12(7-14)13-4-2-6-16(8-13)23(18(24)19(25)26)17-9-15(21)10-22-11-17/h1-11,19,25-26H/t19-/m1/s1
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide

A1ASA

A1ASA
Name:	(1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C27 H31 F4 N5 O3
SMILES:	CC1(C)C2C(C(=O)NC(C=N)c3cncc4cc(F)ccc43)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C27H31F4N5O3/c1-25(2,3)21(35-24(39)27(29,30)31)23(38)36-12-17-19(26(17,4)5)20(36)22(37)34-18(9-32)16-11-33-10-13-8-14(28)6-7-15(13)16/h6-11,17-21,32H,12H2,1-5H3,(H,34,37)(H,35,39)/b32-9+/t17-,18-,19-,20-,21+/m0/s1
Definition date:	2024-05-15
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

A1H2U

A1H2U
Name:	(3~{Z},8~{R},9~{S},10~{R},13~{S},14~{S},17~{R})-3-hydroxyimino-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-ol
Formula:	C25 H34 N2 O2
SMILES:	C[C]12CCC(C=C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)Cc5ccccn5)=NO
InChi:	InChI=1S/C25H34N2O2/c1-23-11-8-18(27-29)15-17(23)6-7-20-21(23)9-12-24(2)22(20)10-13-25(24,28)16-19-5-3-4-14-26-19/h3-5,14-15,20-22,28-29H,6-13,16H2,1-2H3/b27-18-/t20-,21+,22+,23+,24+,25-/m1/s1
Synonyms:	17beta-Hydroxy-17alpha-picolyl-androst-4-en-(3Z)-one oxime
Definition date:	2024-01-22
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(3~{Z},8~{R},9~{S},10~{R},13~{S},14~{S},17~{R})-3-hydroxyimino-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-ol

A1H9A

A1H9A
Name:	3-(cyclooctylamino)-2,6-difluoro-4-((3-hydroxypropyl)sulfonyl)-5-(piperidin-1-yl)benzenesulfonamide
Formula:	C22 H35 F2 N3 O5 S2
SMILES:	N[S](=O)(=O)c1c(F)c(NC2CCCCCCC2)c(c(N3CCCCC3)c1F)[S](=O)(=O)CCCO
InChi:	InChI=1S/C22H35F2N3O5S2/c23-17-19(26-16-10-5-2-1-3-6-11-16)22(33(29,30)15-9-14-28)20(27-12-7-4-8-13-27)18(24)21(17)34(25,31)32/h16,26,28H,1-15H2,(H2,25,31,32)
Synonyms:	3-(cyclooctylamino)-2,6-bis(fluoranyl)-4-(3-oxidanylpropylsulfonyl)-5-piperidin-1-yl-benzenesulfonamide
Definition date:	2024-04-24
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	3-(cyclooctylamino)-2,6-bis(fluoranyl)-4-(3-oxidanylpropylsulfonyl)-5-piperidin-1-yl-benzenesulfonamide

A1I45

A1I45
Name:	5-oxidanyl-2-(phenylmethyl)-1,9-dihydropyrimido[4,5-b]indol-4-one
Formula:	C17 H13 N3 O2
SMILES:	Oc1cccc2[nH]c3NC(=NC(=O)c3c12)Cc4ccccc4
InChi:	InChI=1S/C17H13N3O2/c21-12-8-4-7-11-14(12)15-16(18-11)19-13(20-17(15)22)9-10-5-2-1-3-6-10/h1-8,21H,9H2,(H2,18,19,20,22)
Definition date:	2025-03-03
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	5-oxidanyl-2-(phenylmethyl)-1,9-dihydropyrimido[4,5-b]indol-4-one

A1I76

A1I76
Name:	3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
Formula:	C11 H9 N3 S
SMILES:	Cc1nnc2scc(n12)c3ccccc3
InChi:	InChI=1S/C11H9N3S/c1-8-12-13-11-14(8)10(7-15-11)9-5-3-2-4-6-9/h2-7H,1H3
Definition date:	2025-03-25
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

A1I8D

A1I8D
Name:	(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol
Formula:	C11 H9 N3 O S
SMILES:	OCc1nnc2scc(n12)c3ccccc3
InChi:	InChI=1S/C11H9N3OS/c15-6-10-12-13-11-14(10)9(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H,6H2
Definition date:	2025-03-26
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol

A1I9V

A1I9V
Name:	5-METHYL-2-THIO-URIDINE-5'-MONOPHOSPHATE
Formula:	C10 H15 N2 O8 P S
SMILES:	CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)NC1=O
InChi:	InChI=1S/C10H15N2O8PS/c1-4-2-12(10(22)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(16,17)18/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,22)(H2,16,17,18)/t5-,6-,7-,9-/m1/s1
Synonyms:	[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Definition date:	2025-04-04
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

A1IAA

A1IAA
Name:	1-[5-[(3~{R})-3-[(1~{R})-1-azanylethyl]piperidin-1-yl]carbonyl-2-methyl-4-propyl-1~{H}-pyrrol-3-yl]ethanone
Formula:	C18 H29 N3 O2
SMILES:	CCCc1c([nH]c(C)c1C(C)=O)C(=O)N2CCC[CH](C2)[CH](C)N
InChi:	InChI=1S/C18H29N3O2/c1-5-7-15-16(13(4)22)12(3)20-17(15)18(23)21-9-6-8-14(10-21)11(2)19/h11,14,20H,5-10,19H2,1-4H3/t11-,14-/m1/s1
Definition date:	2024-05-03
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-[5-[(3~{R})-3-[(1~{R})-1-azanylethyl]piperidin-1-yl]carbonyl-2-methyl-4-propyl-1~{H}-pyrrol-3-yl]ethanone

A1IAB

A1IAB
Name:	1-[2,4-dimethyl-5-[(3~{R})-3-[4-(pyrrolidin-1-ylmethyl)-1~{H}-pyrazol-3-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrol-3-yl]ethanone
Formula:	C22 H31 N5 O2
SMILES:	CC(=O)c1c(C)[nH]c(c1C)C(=O)N2CCC[CH](C2)c3n[nH]cc3CN4CCCC4
InChi:	InChI=1S/C22H31N5O2/c1-14-19(16(3)28)15(2)24-20(14)22(29)27-10-6-7-17(13-27)21-18(11-23-25-21)12-26-8-4-5-9-26/h11,17,24H,4-10,12-13H2,1-3H3,(H,23,25)/t17-/m1/s1
Definition date:	2024-05-03
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-[2,4-dimethyl-5-[(3~{R})-3-[4-(pyrrolidin-1-ylmethyl)-1~{H}-pyrazol-3-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrol-3-yl]ethanone

A1IAQ

A1IAQ
Name:	2-(5-azanyl-2-methyl-imidazol-1-yl)ethanol
Formula:	C6 H11 N3 O
SMILES:	Cc1ncc(N)n1CCO
InChi:	InChI=1S/C6H11N3O/c1-5-8-4-6(7)9(5)2-3-10/h4,10H,2-3,7H2,1H3
Definition date:	2024-05-08
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	2-(5-azanyl-2-methyl-imidazol-1-yl)ethanol

A1BIM

A1BIM
Name:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C17 H19 N5 O8 S2
SMILES:	OC(=O)C1=NC(SCC1=C)C(NC(=O)C(=NOC(C)(C)C(=O)O)/c1csc(N)n1)C(=O)O
InChi:	InChI=1S/C17H19N5O8S2/c1-6-4-31-12(21-8(6)13(24)25)10(14(26)27)20-11(23)9(7-5-32-16(18)19-7)22-30-17(2,3)15(28)29/h5,10,12H,1,4H2,2-3H3,(H2,18,19)(H,20,23)(H,24,25)(H,26,27)(H,28,29)/b22-9-/t10-,12+/m0/s1
Synonyms:	hydrolyzed ceftazidime without pyridine ring
Definition date:	2024-11-29
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

A1L1U

A1L1U
Name:	Nocardicin G
Formula:	C19 H19 N3 O6
SMILES:	N[CH](C(=O)N[CH]1CN([CH](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc(O)cc3
InChi:	InChI=1S/C19H19N3O6/c20-15(10-1-5-12(23)6-2-10)17(25)21-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14-16,23-24H,9,20H2,(H,21,25)(H,27,28)/t14-,15-,16-/m0/s1
Synonyms:	(2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid

A1L7Q

A1L7Q
Name:	1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
Formula:	C27 H22 F3 N5 O2
SMILES:	Cc1cncc(c1)N2C(=O)N(CC=N)C(=C(Cc3cc(F)c(F)c(F)c3)C2=O)N4Cc5ccccc5C4
InChi:	InChI=1S/C27H22F3N5O2/c1-16-8-20(13-32-12-16)35-26(36)21(9-17-10-22(28)24(30)23(29)11-17)25(34(7-6-31)27(35)37)33-14-18-4-2-3-5-19(18)15-33/h2-6,8,10-13,31H,7,9,14-15H2,1H3/b31-6-
Definition date:	2025-02-19
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione

A1L7R

A1L7R
Name:	1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione
Formula:	C23 H18 Cl2 F3 N5 O2
SMILES:	Fc1ccc(cc1Cl)C2=C(N3CC4(C3)CC(F)(F)C4)N(CC=N)C(=O)N(C2=O)c5cncc(Cl)c5
InChi:	InChI=1S/C23H18Cl2F3N5O2/c24-14-6-15(8-30-7-14)33-20(34)18(13-1-2-17(26)16(25)5-13)19(32(4-3-29)21(33)35)31-11-22(12-31)9-23(27,28)10-22/h1-3,5-8,29H,4,9-12H2
Definition date:	2025-02-19
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione

A1L9C

A1L9C
Name:	~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide
Formula:	C19 H21 N3 O7 S
SMILES:	CC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)C(=O)c3cc(O)c(O)c(O)c3
InChi:	InChI=1S/C19H21N3O7S/c1-12(23)20-14-2-4-15(5-3-14)30(28,29)22-8-6-21(7-9-22)19(27)13-10-16(24)18(26)17(25)11-13/h2-5,10-11,24-26H,6-9H2,1H3,(H,20,23)
Definition date:	2025-04-28
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide

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