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XB1

XB1
Name:	N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea
Formula:	C17 H27 N7 O3 S2
SMILES:	C(CCSc2nc1C(=O)N(C(N(c1n2)C)=O)C)NC(NCCN3CCOCC3)=S
InChi:	InChI=1S/C17H27N7O3S2/c1-22-13-12(14(25)23(2)17(22)26)20-16(21-13)29-11-3-4-18-15(28)19-5-6-24-7-9-27-10-8-24/h3-11H2,1-2H3,(H,20,21)(H2,18,19,28)
Definition date:	2020-12-08
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea

NWS

NWS
Name:	Moco-AMP
Formula:	C20 H26 Mo N10 O15 P2 S2
SMILES:	NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7)C(=O)N1
InChi:	InChI=1S/C20H26N10O12P2S2.Mo.2H2O.O/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15
Definition date:	2018-12-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(1~{R},10~{R},16~{R})-5-azanyl-13,13-bis(oxidanyl)-7,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{6}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-trien-16-yl]methyl hydrogen phosphate

XYJ

XYJ
Name:	3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide
Formula:	C16 H24 N6 O6 S2
SMILES:	C(NS(CCN1CCOCC1)(=O)=O)(CCSc3nc2c(C(N(C(N2C)=O)C)=O)n3)=O
InChi:	InChI=1S/C16H24N6O6S2/c1-20-13-12(14(24)21(2)16(20)25)17-15(18-13)29-9-3-11(23)19-30(26,27)10-6-22-4-7-28-8-5-22/h3-10H2,1-2H3,(H,17,18)(H,19,23)
Definition date:	2021-01-20
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide

XZS

XZS
Name:	N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
Formula:	C27 H33 F3 N6 O2 S
SMILES:	c2c(cc(c(C1CCN(CC1)C)c2F)F)Nc3nc(c(C)cn3)Nc4ccc(F)c(NS(C(C)(C)C)(=O)=O)c4
InChi:	InChI=1S/C27H33F3N6O2S/c1-16-15-31-26(33-19-12-21(29)24(22(30)13-19)17-8-10-36(5)11-9-17)34-25(16)32-18-6-7-20(28)23(14-18)35-39(37,38)27(2,3)4/h6-7,12-15,17,35H,8-11H2,1-5H3,(H2,31,32,33,34)
Definition date:	2021-01-22
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide

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

Y3P

Y3P
Name:	(~{Z})-2-oxidanylbut-2-enedioic acid
Formula:	C4 H4 O5
SMILES:	OC(=O)C=C(O)C(O)=O
InChi:	InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-
Definition date:	2021-02-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(~{Z})-2-oxidanylbut-2-enedioic acid

Y3V

Y3V
Name:	(2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H24 N4 O2
SMILES:	N3(C(=O)c1cccn1C)CCN(C(=O)NCC2CC2)C(C)C3
InChi:	InChI=1S/C16H24N4O2/c1-12-11-19(15(21)14-4-3-7-18(14)2)8-9-20(12)16(22)17-10-13-5-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,17,22)/t12-/m0/s1
Definition date:	2021-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide

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