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XZV

XZV
Name:	4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
Formula:	C14 H18 Cl N3 O3
SMILES:	N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCC3CC3)=O
InChi:	InChI=1S/C14H18ClN3O3/c15-12-4-3-11(21-12)13(19)17-5-7-18(8-6-17)14(20)16-9-10-1-2-10/h3-4,10H,1-2,5-9H2,(H,16,20)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide

XZY

XZY
Name:	4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Formula:	C12 H13 Cl F3 N3 O3
SMILES:	N(CC(F)(F)F)C(N2CCN(C(=O)c1ccc(Cl)o1)CC2)=O
InChi:	InChI=1S/C12H13ClF3N3O3/c13-9-2-1-8(22-9)10(20)18-3-5-19(6-4-18)11(21)17-7-12(14,15)16/h1-2H,3-7H2,(H,17,21)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

Y0A

Y0A
Name:	N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H21 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCCCC)=O
InChi:	InChI=1S/C14H21N3O3/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h4-5,11H,2-3,6-10H2,1H3,(H,15,19)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y0D

Y0D
Name:	N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H19 N3 O2 S
SMILES:	N(CC1CC1)C(N3CCN(C(=O)c2cccs2)CC3)=O
InChi:	InChI=1S/C14H19N3O2S/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

Y0G

Y0G
Name:	N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C17 H18 F N3 O4
SMILES:	N2(C(=O)Nc1ccc(OC)cc1F)CCN(CC2)C(c3occc3)=O
InChi:	InChI=1S/C17H18FN3O4/c1-24-12-4-5-14(13(18)11-12)19-17(23)21-8-6-20(7-9-21)16(22)15-3-2-10-25-15/h2-5,10-11H,6-9H2,1H3,(H,19,23)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y0J

Y0J
Name:	N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C17 H16 N4 O4
SMILES:	n2c1c(cccc1)oc2NC(N4CCN(C(=O)c3ccco3)CC4)=O
InChi:	InChI=1S/C17H16N4O4/c22-15(14-6-3-11-24-14)20-7-9-21(10-8-20)17(23)19-16-18-12-4-1-2-5-13(12)25-16/h1-6,11H,7-10H2,(H,18,19,23)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y0Y

Y0Y
Name:	4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
Formula:	C17 H19 N3 O4
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(Nc3ccc(OC)cc3)=O
InChi:	InChI=1S/C17H19N3O4/c1-23-14-6-4-13(5-7-14)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,22)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

Y1A

Y1A
Name:	4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide
Formula:	C13 H19 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NC(C)C)=O
InChi:	InChI=1S/C13H19N3O3/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide

Y1D

Y1D
Name:	N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H15 F2 N3 O3
SMILES:	N1(CCN(CC1)C(c2ccco2)=O)C(Nc3c(cc(cc3)F)F)=O
InChi:	InChI=1S/C16H15F2N3O3/c17-11-3-4-13(12(18)10-11)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y1J

Y1J
Name:	N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H19 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCC3CC3)=O
InChi:	InChI=1S/C14H19N3O3/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y1M

Y1M
Name:	N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C15 H21 N3 O3 S
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCC=3CCCS=3)=O
InChi:	InChI=1S/C15H21N3O3S/c19-14(13-4-1-9-21-13)17-5-7-18(8-6-17)15(20)16-11-12-3-2-10-22-12/h1,4,9,22H,2-3,5-8,10-11H2,(H,16,20)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y1P

Y1P
Name:	4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
Formula:	C13 H19 N3 O4
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCCOC)=O
InChi:	InChI=1S/C13H19N3O4/c1-19-10-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-9-20-11/h2-3,9H,4-8,10H2,1H3,(H,14,18)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

Y1S

Y1S
Name:	4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Formula:	C12 H14 F3 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCC(F)(F)F)=O
InChi:	InChI=1S/C12H14F3N3O3/c13-12(14,15)8-16-11(20)18-5-3-17(4-6-18)10(19)9-2-1-7-21-9/h1-2,7H,3-6,8H2,(H,16,20)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

Y2G

Y2G
Name:	N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H21 N3 O4
SMILES:	N2(CCN(C(=O)c1ccc(o1)C)CC2)C(NCCOC)=O
InChi:	InChI=1S/C14H21N3O4/c1-11-3-4-12(21-11)13(18)16-6-8-17(9-7-16)14(19)15-5-10-20-2/h3-4H,5-10H2,1-2H3,(H,15,19)
Definition date:	2021-01-28
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

Y2J

Y2J
Name:	4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
Formula:	C13 H18 Cl N3 O4
SMILES:	N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O
InChi:	InChI=1S/C13H18ClN3O4/c1-20-9-4-15-13(19)17-7-5-16(6-8-17)12(18)10-2-3-11(14)21-10/h2-3H,4-9H2,1H3,(H,15,19)
Definition date:	2021-01-28
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

Y2M

Y2M
Name:	N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:	C15 H21 N3 O3
SMILES:	N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3
InChi:	InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20)
Definition date:	2021-01-28
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

Y2V

Y2V
Name:	4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Formula:	C13 H16 F3 N3 O3
SMILES:	N2(C(NCC(F)(F)F)=O)CCN(C(c1ccc(C)o1)=O)CC2
InChi:	InChI=1S/C13H16F3N3O3/c1-9-2-3-10(22-9)11(20)18-4-6-19(7-5-18)12(21)17-8-13(14,15)16/h2-3H,4-8H2,1H3,(H,17,21)
Definition date:	2021-02-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

Y31

Y31
Name:	5-bromopyridine-3-carboxylic acid
Formula:	C6 H4 Br N O2
SMILES:	c1(Br)cc(cnc1)C(O)=O
InChi:	InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
Definition date:	2021-02-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	5-bromopyridine-3-carboxylic acid

Y34

Y34
Name:	2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
Formula:	C7 H6 O4 S
SMILES:	C2COc1c(csc1C(=O)O)O2
InChi:	InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)
Definition date:	2021-02-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid

F0F

F0F
Name:	(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide
Formula:	C15 H22 N2 O
SMILES:	CCN(CC)C(=O)[C]1(C[CH]1CN)c2ccccc2
InChi:	InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1
Definition date:	2020-03-05
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(1~{R},2~{S})-2-(aminomethyl)-~{N},~{N}-diethyl-1-phenyl-cyclopropane-1-carboxamide

F1U

F1U
Name:	(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
Formula:	C16 H25 N O2
SMILES:	COc1cccc(c1)[C]2(O)CCCC[CH]2CN(C)C
InChi:	InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1
Synonyms:	(s,s)-tramadol
Definition date:	2020-03-13
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(1~{S},2~{S})-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol

Q9E

Q9E
Name:	(5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
Formula:	C23 H30 N4 O6 S
SMILES:	CN(C)C(=O)[CH]1CSCc2ccccc2C(=O)OC[CH](NC(=O)[CH]3CCCN3C(C)=O)C(=O)N1
InChi:	InChI=1S/C23H30N4O6S/c1-14(28)27-10-6-9-19(27)21(30)24-17-11-33-23(32)16-8-5-4-7-15(16)12-34-13-18(25-20(17)29)22(31)26(2)3/h4-5,7-8,17-19H,6,9-13H2,1-3H3,(H,24,30)(H,25,29)/t17-,18-,19+/m1/s1
Synonyms:	(5~{S},8~{R})-8-[[(2~{S})-1-ethanoyl-2,3-dihydropyrrol-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
Definition date:	2020-05-28
Last modified:	2021-02-07
Release date:	2020-12-30
Identifier:	(5~{S},8~{R})-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide

GE0

GE0
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
Formula:	C38 H68 N7 O17 P3 S
SMILES:	CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(46)23-66-21-20-40-29(47)18-19-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-22-28-32(61-63(51,52)53)31(48)37(60-28)45-26-44-30-34(39)42-25-43-35(30)45/h25-26,28,31-33,37,48-49H,4-24H2,1-3H3,(H,40,47)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t28-,31-,32-,33+,37-/m1/s1
Definition date:	2020-08-20
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate

PVT

PVT
Name:	5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
Formula:	C19 H15 F3 N6 O
SMILES:	FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc4cccnc4
InChi:	InChI=1S/C19H15F3N6O/c20-19(21,22)14-10-25-18(28-17(14)24-9-11-2-1-5-23-8-11)26-13-3-4-15-12(6-13)7-16(29)27-15/h1-6,8,10H,7,9H2,(H,27,29)(H2,24,25,26,28)
Definition date:	2020-04-29
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

R1D

R1D
Name:	5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
Formula:	C21 H18 F3 N3 O5
SMILES:	COc1c(ccc(c1)CCNC(C=3N=C(c2ccccc2C(F)(F)F)NC(C=3O)=O)=O)O
InChi:	InChI=1S/C21H18F3N3O5/c1-32-15-10-11(6-7-14(15)28)8-9-25-19(30)16-17(29)20(31)27-18(26-16)12-4-2-3-5-13(12)21(22,23)24/h2-7,10,28-29H,8-9H2,1H3,(H,25,30)(H,26,27,31)
Definition date:	2020-01-23
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide

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