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8WL

8WL
Name:	N-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
Formula:	C21 H24 F N7 O5 S
SMILES:	CC(C)c1noc(n1)C2CCN(CC2)c3ncnc(Nc4ccc(cc4F)[S](C)(=O)=O)c3[N+]([O-])=O
InChi:	InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)
Synonyms:	AR231453
Definition date:	2021-12-27
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	~{N}-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

AY3

AY3
Name:	4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid
Formula:	C16 H11 N O3
SMILES:	OC(=O)c1ccc(cc1)C=C2C(=O)Nc3ccccc23
InChi:	InChI=1S/C16H11NO3/c18-15-13(12-3-1-2-4-14(12)17-15)9-10-5-7-11(8-6-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+
Definition date:	2021-12-06
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid

7VK

7VK
Name:	2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid
Formula:	C28 H20 N2 O7
SMILES:	OC(=O)c1ccccc1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)cc2
InChi:	InChI=1S/C28H20N2O7/c31-25(29-23-7-3-1-5-21(23)27(33)34)17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)26(32)30-24-8-4-2-6-22(24)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
Definition date:	2021-09-09
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid

CI8

CI8
Name:	2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid
Formula:	C29 H36 F2 N3 O7 S
SMILES:	COc1cc2sc(CNC(=O)C3(CC(O)=O)Cc4cc(F)c(F)cc4C3)nc2cc1OCCC[N+](C)(CCO)CCO
InChi:	InChI=1S/C29H35F2N3O7S/c1-34(5-7-35,6-8-36)4-3-9-41-24-12-22-25(13-23(24)40-2)42-26(33-22)17-32-28(39)29(16-27(37)38)14-18-10-20(30)21(31)11-19(18)15-29/h10-13,35-36H,3-9,14-17H2,1-2H3,(H-,32,37,38,39)/p+1
Definition date:	2021-12-14
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	3-[[2-[[[5,6-bis(fluoranyl)-2-(2-hydroxy-2-oxoethyl)-1,3-dihydroinden-2-yl]carbonylamino]methyl]-6-methoxy-1,3-benzothiazol-5-yl]oxy]propyl-bis(2-hydroxyethyl)-methyl-azanium

C0I

C0I
Name:	(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
Formula:	C40 H46 N6 O2
SMILES:	O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(C4)Cc5ccc(cc5)C(=O)NCCc6c[nH]c7ccccc67
InChi:	InChI=1S/C40H46N6O2/c47-39(43-23-20-30-25-44-35-13-4-1-10-32(30)35)29-18-16-28(17-19-29)26-46-24-7-9-31(27-46)40(48)42-22-8-21-41-38-33-11-2-5-14-36(33)45-37-15-6-3-12-34(37)38/h1-2,4-5,10-11,13-14,16-19,25,31,44H,3,6-9,12,15,20-24,26-27H2,(H,41,45)(H,42,48)(H,43,47)/t31-/m0/s1
Definition date:	2021-12-14
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide

C4I

C4I
Name:	(3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
Formula:	C40 H43 N5 O2
SMILES:	O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(C4)Cc5ccc(cc5)C(=O)Nc6cccc7ccccc67
InChi:	InChI=1S/C40H43N5O2/c46-39(42-24-9-23-41-38-33-14-3-5-16-36(33)43-37-17-6-4-15-34(37)38)31-12-8-25-45(27-31)26-28-19-21-30(22-20-28)40(47)44-35-18-7-11-29-10-1-2-13-32(29)35/h1-3,5,7,10-11,13-14,16,18-22,31H,4,6,8-9,12,15,17,23-27H2,(H,41,43)(H,42,46)(H,44,47)/t31-/m0/s1
Definition date:	2021-12-14
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide

GC0

GC0
Name:	(3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide
Formula:	C36 H40 N12 O6
SMILES:	Cc1cc(n(CC)n1)C(=O)Nc1nc2cc(cc(OC)c2n1CCCC1COc2cc(cc3nc(NC(=O)c4cc(C)nn4CC)n1c23)C(N)=O)C(N)=O
InChi:	InChI=1S/C36H40N12O6/c1-6-46-25(11-18(3)43-46)33(51)41-35-39-23-13-20(31(37)49)15-27(53-5)29(23)45(35)10-8-9-22-17-54-28-16-21(32(38)50)14-24-30(28)48(22)36(40-24)42-34(52)26-12-19(4)44-47(26)7-2/h11-16,22H,6-10,17H2,1-5H3,(H2,37,49)(H2,38,50)(H,39,41,51)(H,40,42,52)/t22-/m0/s1
Definition date:	2021-12-20
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide

GD2

GD2
Name:	(3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide
Formula:	C20 H22 N6 O3
SMILES:	Cc1cc(n(CC)n1)C(=O)Nc1nc2cc(cc3OCC(CC=C)n1c32)C(N)=O
InChi:	InChI=1S/C20H22N6O3/c1-4-6-13-10-29-16-9-12(18(21)27)8-14-17(16)26(13)20(22-14)23-19(28)15-7-11(3)24-25(15)5-2/h4,7-9,13H,1,5-6,10H2,2-3H3,(H2,21,27)(H,22,23,28)/t13-/m0/s1
Definition date:	2021-12-20
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide

GID

GID
Name:	5-nitro-1H-indole-2-carboxylic acid
Formula:	C9 H6 N2 O4
SMILES:	O=N(=O)c1cc2cc([NH]c2cc1)C(=O)O
InChi:	InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13)
Definition date:	2022-01-14
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	5-nitro-1H-indole-2-carboxylic acid

8CQ

8CQ
Name:	2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid
Formula:	C26 H17 N O8
SMILES:	OC(=O)c1cc(ccc1O)N2[CH](c3ccc4C(=O)OCc4c3)C(=C(O)C2=O)C(=O)c5ccccc5
InChi:	InChI=1S/C26H17NO8/c28-19-9-7-16(11-18(19)25(32)33)27-21(14-6-8-17-15(10-14)12-35-26(17)34)20(23(30)24(27)31)22(29)13-4-2-1-3-5-13/h1-11,21,28,30H,12H2,(H,32,33)/t21-/m1/s1
Definition date:	2021-10-08
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid

HZO

HZO
Name:	2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one
Formula:	C19 H17 N O
SMILES:	CC1(C)CC(=O)c2cnc3ccc4ccccc4c3c2C1
InChi:	InChI=1S/C19H17NO/c1-19(2)9-14-15(17(21)10-19)11-20-16-8-7-12-5-3-4-6-13(12)18(14)16/h3-8,11H,9-10H2,1-2H3
Definition date:	2021-03-05
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one

I8T

I8T
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid
Formula:	C16 H14 N6 O5
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccc(O)cc3)C(O)=O
InChi:	InChI=1S/C16H14N6O5/c17-16-21-12-11(14(25)22-16)18-6-10(19-12)13(24)20-9(15(26)27)5-7-1-3-8(23)4-2-7/h1-4,6,9,23H,5H2,(H,20,24)(H,26,27)(H3,17,19,21,22,25)/t9-/m0/s1
Synonyms:	(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-L-tyrosine
Definition date:	2022-06-16
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

I9P

I9P
Name:	(2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid
Formula:	C16 H14 N6 O5
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccc(O)cc3)C(O)=O
InChi:	InChI=1S/C16H14N6O5/c17-16-21-12-11(14(25)22-16)18-6-10(19-12)13(24)20-9(15(26)27)5-7-1-3-8(23)4-2-7/h1-4,6,9,23H,5H2,(H,20,24)(H,26,27)(H3,17,19,21,22,25)/t9-/m1/s1
Synonyms:	(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-tyrosine
Definition date:	2022-06-17
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{R})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

IEK

IEK
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid
Formula:	C16 H14 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccccc3)C(O)=O
InChi:	InChI=1S/C16H14N6O4/c17-16-21-12-11(14(24)22-16)18-7-10(19-12)13(23)20-9(15(25)26)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,20,23)(H,25,26)(H3,17,19,21,22,24)/t9-/m0/s1
Synonyms:	(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-tyrosine
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid

IEW

IEW
Name:	(2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid
Formula:	C16 H14 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)NC(Cc3ccccc3)C(O)=O
InChi:	InChI=1S/C16H14N6O4/c17-16-21-12-11(14(24)22-16)18-7-10(19-12)13(23)20-9(15(25)26)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,20,23)(H,25,26)(H3,17,19,21,22,24)
Synonyms:	(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-phenylalanine
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{R})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid

IEZ

IEZ
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid
Formula:	C16 H13 F N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccc(F)cc3)C(O)=O
InChi:	InChI=1S/C16H13FN6O4/c17-8-3-1-7(2-4-8)5-9(15(26)27)21-13(24)10-6-19-11-12(20-10)22-16(18)23-14(11)25/h1-4,6,9H,5H2,(H,21,24)(H,26,27)(H3,18,20,22,23,25)/t9-/m0/s1
Synonyms:	(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-3-(4-fluorophenyl)propanoic acid
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid

IF4

IF4
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid
Formula:	C15 H12 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](C(O)=O)c3ccccc3
InChi:	InChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m0/s1
Synonyms:	(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid

IFH

IFH
Name:	(2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid
Formula:	C15 H12 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)NC(C(O)=O)c3ccccc3
InChi:	InChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)
Synonyms:	(R)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{R})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid

IFQ

IFQ
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-4-phenyl-butanoic acid
Formula:	C17 H16 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](CCc3ccccc3)C(O)=O
InChi:	InChI=1S/C17H16N6O4/c18-17-22-13-12(15(25)23-17)19-8-11(20-13)14(24)21-10(16(26)27)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,21,24)(H,26,27)(H3,18,20,22,23,25)/t10-/m0/s1
Synonyms:	(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-4-phenylbutanoic acid
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-4-phenyl-butanoic acid

IFX

IFX
Name:	2-azanyl-4-oxidanylidene-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-3H-pteridine-7-carboxamide
Formula:	C16 H16 N6 O3
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](CO)Cc3ccccc3
InChi:	InChI=1S/C16H16N6O3/c17-16-21-13-12(15(25)22-16)18-7-11(20-13)14(24)19-10(8-23)6-9-4-2-1-3-5-9/h1-5,7,10,23H,6,8H2,(H,19,24)(H3,17,20,21,22,25)/t10-/m0/s1
Synonyms:	(S)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-oxo-3,4-dihydropteridine-7-carboxamide
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-azanyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]-3~{H}-pteridine-7-carboxamide

J26

J26
Name:	N-[(2S)-1-[(4-cyanophenyl)amino]-4-cyclopropyl-1-oxidanylidene-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1H-indole-2-carboxamide
Formula:	C26 H30 N4 O3
SMILES:	Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[CH](CCC3CC3)C(=O)Nc4ccc(cc4)C#N
InChi:	InChI=1S/C26H30N4O3/c1-15-22-20(12-26(2,3)13-21(22)31)29-23(15)25(33)30-19(11-8-16-4-5-16)24(32)28-18-9-6-17(14-27)7-10-18/h6-7,9-10,16,19,29H,4-5,8,11-13H2,1-3H3,(H,28,32)(H,30,33)/t19-/m0/s1
Definition date:	2021-03-24
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	~{N}-[(2~{S})-1-[(4-cyanophenyl)amino]-4-cyclopropyl-1-oxidanylidene-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

J6X

J6X
Name:	2-(4-methyl-1,3-thiazol-2-yl)-1-benzothiophen-3-ol
Formula:	C12 H9 N O S2
SMILES:	Cc1csc(n1)c2sc3ccccc3c2O
InChi:	InChI=1S/C12H9NOS2/c1-7-6-15-12(13-7)11-10(14)8-4-2-3-5-9(8)16-11/h2-6,14H,1H3
Definition date:	2022-08-08
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-(4-methyl-1,3-thiazol-2-yl)-1-benzothiophen-3-ol

JYR

JYR
Name:	methyl 3-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-1-benzothiophene-2-carboxylate
Formula:	C10 H7 N O5 S
SMILES:	COC(=O)c1sc2ccc(cc2c1O)[N+]([O-])=O
InChi:	InChI=1S/C10H7NO5S/c1-16-10(13)9-8(12)6-4-5(11(14)15)2-3-7(6)17-9/h2-4,12H,1H3
Definition date:	2022-09-02
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	methyl 5-nitro-3-oxidanyl-1-benzothiophene-2-carboxylate

Y3S

Y3S
Name:	(2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide
Formula:	C18 H20 F N3 O3 S
SMILES:	COc1ccc(NC(=O)N2CCN(C[CH]2C)C(=O)c3sccc3F)cc1
InChi:	InChI=1S/C18H20FN3O3S/c1-12-11-21(17(23)16-15(19)7-10-26-16)8-9-22(12)18(24)20-13-3-5-14(25-2)6-4-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,20,24)/t12-/m1/s1
Definition date:	2021-02-03
Last modified:	2022-12-14
Release date:	2021-02-17
Identifier:	(2~{R})-4-(3-fluoranylthiophen-2-yl)carbonyl-~{N}-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide

Y3Y

Y3Y
Name:	(2R)-N-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide
Formula:	C14 H21 N3 O3 S
SMILES:	COCCNC(=O)N1CCN(C[CH]1C)C(=O)c2sccc2
InChi:	InChI=1S/C14H21N3O3S/c1-11-10-16(13(18)12-4-3-9-21-12)6-7-17(11)14(19)15-5-8-20-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,19)/t11-/m1/s1
Definition date:	2021-02-03
Last modified:	2022-12-14
Release date:	2021-02-17
Identifier:	(2~{R})-~{N}-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide

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