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ZK6

ZK6
Name:	4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide
Formula:	C16 H17 N3 O3
SMILES:	O=C(N1CCN(CC1)C(=O)Nc1ccccc1)c1ccco1
InChi:	InChI=1S/C16H17N3O3/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide

ZKC

ZKC
Name:	tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate
Formula:	C22 H28 N4 O5
SMILES:	O=C(N1CCN(CC1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccco1
InChi:	InChI=1S/C22H28N4O5/c1-22(2,3)31-21(29)24-17-7-4-6-16(14-17)15-23-20(28)26-11-9-25(10-12-26)19(27)18-8-5-13-30-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,28)(H,24,29)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate

ZKH

ZKH
Name:	N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C13 H19 N3 O3 S
SMILES:	O=C(N1CCN(CC1)C(=O)NCCOC)c1cccs1
InChi:	InChI=1S/C13H19N3O3S/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-10-20-11/h2-3,10H,4-9H2,1H3,(H,14,18)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

ZKL

ZKL
Name:	(2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
Formula:	C15 H23 N3 O3
SMILES:	O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1
InChi:	InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-9-8-17(11-12(18)2)14(19)13-6-5-10-21-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide

ZKQ

ZKQ
Name:	N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H16 F N3 O3
SMILES:	O=C(N1CCN(CC1)C(=O)Nc1ccccc1F)c1ccco1
InChi:	InChI=1S/C16H16FN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

ZKU

ZKU
Name:	4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide
Formula:	C15 H16 N4 O3
SMILES:	O=C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1
InChi:	InChI=1S/C15H16N4O3/c20-14(12-4-3-11-22-12)18-7-9-19(10-8-18)15(21)17-13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,16,17,21)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide

ZKZ

ZKZ
Name:	N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide
Formula:	C18 H21 N3 O4
SMILES:	CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc2)o1
InChi:	InChI=1S/C18H21N3O4/c1-19-18(23)21-11-9-20(10-12-21)17(22)16-8-7-15(25-16)13-24-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,19,23)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide

ZL3

ZL3
Name:	(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
Formula:	C14 H21 N3 O3
SMILES:	O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1
InChi:	InChI=1S/C14H21N3O3/c1-10(2)15-14(19)16-6-7-17(11(3)9-16)13(18)12-5-4-8-20-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide

ZL8

ZL8
Name:	4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide
Formula:	C23 H27 Cl N4 O3 S
SMILES:	Clc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)NCCC(=O)N1CCc2sccc2C1
InChi:	InChI=1S/C23H27ClN4O3S/c24-19-4-1-3-17(15-19)22(30)26-9-2-10-27(13-12-26)23(31)25-8-5-21(29)28-11-6-20-18(16-28)7-14-32-20/h1,3-4,7,14-15H,2,5-6,8-13,16H2,(H,25,31)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide

ZLC

ZLC
Name:	4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
Formula:	C16 H19 N3 O3 S
SMILES:	O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1ccc(C)o1
InChi:	InChI=1S/C16H19N3O3S/c1-12-4-5-14(22-12)15(20)18-6-8-19(9-7-18)16(21)17-11-13-3-2-10-23-13/h2-5,10H,6-9,11H2,1H3,(H,17,21)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide

ZLH

ZLH
Name:	(2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
Formula:	C15 H21 N3 O3
SMILES:	O=C(N1CCN(C(=O)NCC2CC2)C(C)C1)c1ccco1
InChi:	InChI=1S/C15H21N3O3/c1-11-10-17(14(19)13-3-2-8-21-13)6-7-18(11)15(20)16-9-12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,20)/t11-/m0/s1
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide

ZLW

ZLW
Name:	N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C12 H18 N4 O3
SMILES:	O=C(N1CCN(CC1)C(=O)NCCN)c1ccco1
InChi:	InChI=1S/C12H18N4O3/c13-3-4-14-12(18)16-7-5-15(6-8-16)11(17)10-2-1-9-19-10/h1-2,9H,3-8,13H2,(H,14,18)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

ZM0

ZM0
Name:	4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide
Formula:	C19 H27 N3 O2 S2
SMILES:	CC(C)(C)C(C)CNC(=O)N1CCN(CC1)C(=O)c1cc2sccc2s1
InChi:	InChI=1S/C19H27N3O2S2/c1-13(19(2,3)4)12-20-18(24)22-8-6-21(7-9-22)17(23)16-11-15-14(26-16)5-10-25-15/h5,10-11,13H,6-9,12H2,1-4H3,(H,20,24)/t13-/m1/s1
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide

ZM6

ZM6
Name:	N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide
Formula:	C16 H19 Cl2 N3 O2
SMILES:	O=C(NCC1CC1)N1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C16H19Cl2N3O2/c17-13-4-3-12(9-14(13)18)15(22)20-5-7-21(8-6-20)16(23)19-10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide

ZMN

ZMN
Name:	4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide
Formula:	C20 H24 Br N3 O4
SMILES:	O=C(N1CCN(CC1)C(=O)NCCCOc1cc(C)ccc1)c1ccc(Br)o1
InChi:	InChI=1S/C20H24BrN3O4/c1-15-4-2-5-16(14-15)27-13-3-8-22-20(26)24-11-9-23(10-12-24)19(25)17-6-7-18(21)28-17/h2,4-7,14H,3,8-13H2,1H3,(H,22,26)
Definition date:	2023-03-16
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide

ZMW

ZMW
Name:	N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C17 H19 N3 O3
SMILES:	O=C(N1CCN(CC1)C(=O)NCc1ccccc1)c1ccco1
InChi:	InChI=1S/C17H19N3O3/c21-16(15-7-4-12-23-15)19-8-10-20(11-9-19)17(22)18-13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,22)
Definition date:	2023-03-16
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide

SRW

SRW
Name:	2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol
Formula:	C26 H31 F N4 O2
SMILES:	COc5c(C4CCN(c2nc(C1(CC1)F)nc3ccc(cc23)N(CCO)C)CC4)cccc5
InChi:	InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3
Definition date:	2019-11-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol

GRJ

GRJ
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate
Formula:	C16 H25 N5 O15 P2
SMILES:	C[CH](O)[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(O)nc(N)nc34)[CH](O)[CH]1O
InChi:	InChI=1S/C16H25N5O15P2/c1-4(22)11-8(24)10(26)15(34-11)35-38(30,31)36-37(28,29)32-2-5-7(23)9(25)14(33-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8-,9+,10-,11+,14+,15-/m0/s1
Definition date:	2022-05-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate

U59

U59
Name:	(4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one
Formula:	C25 H25 F N4 O4 S
SMILES:	FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OCC3CC3)S(C)(=O)=O)c2c1
InChi:	InChI=1S/C25H25FN4O4S/c1-29-13-22(21-12-18(35(2,32)33)6-8-24(21)34-15-16-3-4-16)20-11-17(5-7-19(20)25(29)31)23-14-30(10-9-26)28-27-23/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3
Definition date:	2022-08-05
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one

U7R

U7R
Name:	(4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one
Formula:	C22 H21 F N4 O4 S
SMILES:	FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OC)S(C)(=O)=O)c2c1
InChi:	InChI=1S/C22H21FN4O4S/c1-26-12-19(18-11-15(32(3,29)30)5-7-21(18)31-2)17-10-14(4-6-16(17)22(26)28)20-13-27(9-8-23)25-24-20/h4-7,10-13H,8-9H2,1-3H3
Definition date:	2022-08-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one

U93

U93
Name:	(2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid
Formula:	C17 H30 N4 O12 P2
SMILES:	Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C=O)N[CH](CO[P](O)(O)=O)C(O)=O)c1O
InChi:	InChI=1S/C17H30N4O12P2/c1-10-15(23)14(11(6-20-10)8-32-34(26,27)28)16(19-5-3-2-4-12(18)7-22)21-13(17(24)25)9-33-35(29,30)31/h6-7,12-13,16,19,21,23H,2-5,8-9,18H2,1H3,(H,24,25)(H2,26,27,28)(H2,29,30,31)/t12-,13-,16+/m0/s1
Definition date:	2023-01-30
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid

CVY

CVY
Name:	4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide
Formula:	C27 H18 F7 N7 O2
SMILES:	Cn1cc(cn1)c2n[nH]c3ccc(NC(=O)c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4C(F)(F)F)cc23
InChi:	InChI=1S/C27H18F7N7O2/c1-41-12-13(11-35-41)23-18-9-15(4-7-21(18)39-40-23)36-24(42)17-5-3-16(10-19(17)27(32,33)34)37-25(43)38-22-8-14(26(29,30)31)2-6-20(22)28/h2-12H,1H3,(H,36,42)(H,39,40)(H2,37,38,43)
Definition date:	2022-04-06
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide

D5S

D5S
Name:	5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid
Formula:	C15 H12 O6
SMILES:	OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
InChi:	InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
Synonyms:	5,5'-Methylenedisalicylic acid
Definition date:	2022-04-11
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid

K3I

K3I
Name:	Zeaxanthin
Formula:	C40 H56 O2
SMILES:	CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C
InChi:	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11?,17-13+,18-14?,23-21+,24-22?,29-15+,30-16?,31-19+,32-20?/t35-,36?/m0/s1
Synonyms:	zeaxanthin
Definition date:	2022-05-18
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol

K3X

K3X
Name:	[(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone
Formula:	C29 H28 F N5 O
SMILES:	Cc1n2ccc(cc2nc1c3cc4ccccc4n3Cc5ccc(F)cc5)C(=O)N6CCC[CH](N)C6
InChi:	InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1
Definition date:	2022-09-07
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	[(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone

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數據於2024-07-10公開中

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