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SOI

SOI
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide
Formula:	C23 H23 Cl N4 O2 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCNCC3)Oc4ccc(Cl)cc4)c2
InChi:	InChI=1S/C23H23ClN4O2S/c24-17-4-6-19(7-5-17)30-23(8-10-27-11-9-23)22(29)28-18-3-1-2-15(12-18)16-13-20(21(25)26)31-14-16/h1-7,12-14,27H,8-11H2,(H3,25,26)(H,28,29)
Definition date:	2022-12-19
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide

TK0

TK0
Name:	(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide
Formula:	C37 H34 N6 O2 S2
SMILES:	O=C(NCc1ccc2sccc2c1)C1CCCN(C1)c1ncnc2sc(cc12)c1ccc(CCNC(=O)/C=C/c2cccnc2)cc1
InChi:	InChI=1S/C37H34N6O2S2/c44-34(12-8-26-3-1-15-38-21-26)39-16-13-25-5-9-28(10-6-25)33-20-31-35(41-24-42-37(31)47-33)43-17-2-4-30(23-43)36(45)40-22-27-7-11-32-29(19-27)14-18-46-32/h1,3,5-12,14-15,18-21,24,30H,2,4,13,16-17,22-23H2,(H,39,44)(H,40,45)/b12-8+/t30-/m0/s1
Definition date:	2022-07-25
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide

U0L

U0L
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide
Formula:	C21 H19 Cl F N3 O2 S
SMILES:	CC(C)(Oc1ccc(Cl)c(F)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H19ClFN3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27)
Definition date:	2023-01-18
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide

U3B

U3B
Name:	Omadacycline
Formula:	C29 H40 N4 O7
SMILES:	CN(C)[CH]1[CH]2C[CH]3Cc4c(cc(CNCC(C)(C)C)c(O)c4C(=C3C(=O)[C]2(O)C(=C(C(N)=O)C1=O)O)O)N(C)C
InChi:	InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1
Synonyms:	Omadacycline
Definition date:	2023-01-24
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(4~{S},4~{a}~{S},5~{a}~{R},12~{a}~{R})-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12~{a}-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-tetracene-2-carboxamide

SSX

SSX
Name:	4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide
Formula:	C14 H19 N3 O S
SMILES:	COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N
InChi:	InChI=1S/C14H19N3OS/c1-8(7-15)5-9-3-4-11(18-2)13-10(9)6-12(19-13)14(16)17/h3-4,6,8H,5,7,15H2,1-2H3,(H3,16,17)/t8-/m1/s1
Definition date:	2022-12-19
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide

SWM

SWM
Name:	2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide
Formula:	C9 H5 Br F2 N4 O S
SMILES:	FC(F)(Br)C(=O)Nc1sc(nn1)c2ccncc2
InChi:	InChI=1S/C9H5BrF2N4OS/c10-9(11,12)7(17)14-8-16-15-6(18-8)5-1-3-13-4-2-5/h1-4H,(H,14,16,17)
Definition date:	2022-12-19
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide

VIL

VIL
Name:	5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine
Formula:	C11 H16 Cl N5
SMILES:	CC1(C)NC(=N[CH](N)N1c2ccc(Cl)cc2)N
InChi:	InChI=1S/C11H16ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6,10H,14H2,1-2H3,(H3,13,15,16)/t10-/m1/s1
Definition date:	2023-03-08
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine

VYC

VYC
Name:	5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile
Formula:	C29 H25 Cl F N3 O3
SMILES:	OCCNCc1ccc(OCc2cccc(c2Cl)c3ccccc3F)cc1OCc4cncc(c4)C#N
InChi:	InChI=1S/C29H25ClFN3O3/c30-29-23(4-3-6-26(29)25-5-1-2-7-27(25)31)19-36-24-9-8-22(17-33-10-11-35)28(13-24)37-18-21-12-20(14-32)15-34-16-21/h1-9,12-13,15-16,33,35H,10-11,17-19H2
Definition date:	2023-04-13
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile

RXF

RXF
Name:	methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
Formula:	C15 H18 N6 O6 S
SMILES:	CCOc1nc(NC)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(=O)OC)n1
InChi:	InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)
Synonyms:	Ethametsulfuron methyl
Definition date:	2023-04-03
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate

RY0

RY0
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide
Formula:	C22 H20 Cl N3 O2 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC3)Oc4ccc(Cl)cc4)c2
InChi:	InChI=1S/C22H20ClN3O2S/c23-16-5-7-18(8-6-16)28-22(9-2-10-22)21(27)26-17-4-1-3-14(11-17)15-12-19(20(24)25)29-13-15/h1,3-8,11-13H,2,9-10H2,(H3,24,25)(H,26,27)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide

RYR

RYR
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
Formula:	C22 H20 F3 N3 O2 S
SMILES:	CC(C)(Oc1ccc(cc1)C(F)(F)F)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C22H20F3N3O2S/c1-21(2,30-17-8-6-15(7-9-17)22(23,24)25)20(29)28-16-5-3-4-13(10-16)14-11-18(19(26)27)31-12-14/h3-12H,1-2H3,(H3,26,27)(H,28,29)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide

RZC

RZC
Name:	2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
Formula:	C21 H19 Cl2 N3 O2 S
SMILES:	CC(C)(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H19Cl2N3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide

RZL

RZL
Name:	2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
Formula:	C21 H20 Br N3 O2 S
SMILES:	CC(C)(Oc1ccc(Br)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H20BrN3O2S/c1-21(2,27-17-8-6-15(22)7-9-17)20(26)25-16-5-3-4-13(10-16)14-11-18(19(23)24)28-12-14/h3-12H,1-2H3,(H3,23,24)(H,25,26)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide

RZT

RZT
Name:	4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide
Formula:	C24 H25 Cl N4 O2 S
SMILES:	N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)Nc3cccc(c3)c4csc(c4)C(N)=N
InChi:	InChI=1S/C24H25ClN4O2S/c25-17-4-6-20(7-5-17)31-24(10-8-18(26)9-11-24)23(30)29-19-3-1-2-15(12-19)16-13-21(22(27)28)32-14-16/h1-7,12-14,18H,8-11,26H2,(H3,27,28)(H,29,30)/t18-,24+
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide

S0O

S0O
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide
Formula:	C21 H21 N3 O2 S
SMILES:	CC(C)(Oc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H21N3O2S/c1-21(2,26-17-9-4-3-5-10-17)20(25)24-16-8-6-7-14(11-16)15-12-18(19(22)23)27-13-15/h3-13H,1-2H3,(H3,22,23)(H,24,25)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide

S0U

S0U
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenylazanyl-propanamide
Formula:	C21 H22 N4 O S
SMILES:	CC(C)(Nc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H22N4OS/c1-21(2,25-16-8-4-3-5-9-16)20(26)24-17-10-6-7-14(11-17)15-12-18(19(22)23)27-13-15/h3-13,25H,1-2H3,(H3,22,23)(H,24,26)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenylazanyl-propanamide

S1I

S1I
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide
Formula:	C24 H23 F2 N3 O2 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC(F)(F)CC3)Oc4ccccc4)c2
InChi:	InChI=1S/C24H23F2N3O2S/c25-24(26)11-9-23(10-12-24,31-19-7-2-1-3-8-19)22(30)29-18-6-4-5-16(13-18)17-14-20(21(27)28)32-15-17/h1-8,13-15H,9-12H2,(H3,27,28)(H,29,30)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide

S1R

S1R
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide
Formula:	C23 H23 N3 O3 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc4ccccc4)c2
InChi:	InChI=1S/C23H23N3O3S/c24-21(25)20-14-17(15-30-20)16-5-4-6-18(13-16)26-22(27)23(9-11-28-12-10-23)29-19-7-2-1-3-8-19/h1-8,13-15H,9-12H2,(H3,24,25)(H,26,27)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide

S2E

S2E
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)oxane-4-carboxamide
Formula:	C23 H22 Cl N3 O3 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc4ccc(Cl)cc4)c2
InChi:	InChI=1S/C23H22ClN3O3S/c24-17-4-6-19(7-5-17)30-23(8-10-29-11-9-23)22(28)27-18-3-1-2-15(12-18)16-13-20(21(25)26)31-14-16/h1-7,12-14H,8-11H2,(H3,25,26)(H,27,28)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)oxane-4-carboxamide

S2U

S2U
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide
Formula:	C22 H23 N3 O3 S
SMILES:	COc1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1
InChi:	InChI=1S/C22H23N3O3S/c1-22(2,28-18-9-7-17(27-3)8-10-18)21(26)25-16-6-4-5-14(11-16)15-12-19(20(23)24)29-13-15/h4-13H,1-3H3,(H3,23,24)(H,25,26)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide

S3I

S3I
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide
Formula:	C23 H23 N3 O3 S
SMILES:	CC(=O)c1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1
InChi:	InChI=1S/C23H23N3O3S/c1-14(27)15-7-9-19(10-8-15)29-23(2,3)22(28)26-18-6-4-5-16(11-18)17-12-20(21(24)25)30-13-17/h4-13H,1-3H3,(H3,24,25)(H,26,28)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide

S3U

S3U
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide
Formula:	C24 H25 N3 O2 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccccc4)c2
InChi:	InChI=1S/C24H25N3O2S/c25-22(26)21-15-18(16-30-21)17-8-7-9-19(14-17)27-23(28)24(12-5-2-6-13-24)29-20-10-3-1-4-11-20/h1,3-4,7-11,14-16H,2,5-6,12-13H2,(H3,25,26)(H,27,28)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide

S6X

S6X
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide
Formula:	C21 H20 Cl N3 O2 S
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H20ClN3O2S/c1-21(2,27-17-8-6-15(22)7-9-17)20(26)25-16-5-3-4-13(10-16)14-11-18(19(23)24)28-12-14/h3-12H,1-2H3,(H3,23,24)(H,25,26)
Definition date:	2022-12-14
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide

S7I

S7I
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide
Formula:	C23 H22 Cl N3 O2 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCC3)Oc4ccc(Cl)cc4)c2
InChi:	InChI=1S/C23H22ClN3O2S/c24-17-6-8-19(9-7-17)29-23(10-1-2-11-23)22(28)27-18-5-3-4-15(12-18)16-13-20(21(25)26)30-14-16/h3-9,12-14H,1-2,10-11H2,(H3,25,26)(H,27,28)
Definition date:	2022-12-14
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide

S7R

S7R
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide
Formula:	C23 H24 Cl N5 O S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCNCC3)Nc4ccc(Cl)cc4)c2
InChi:	InChI=1S/C23H24ClN5OS/c24-17-4-6-18(7-5-17)29-23(8-10-27-11-9-23)22(30)28-19-3-1-2-15(12-19)16-13-20(21(25)26)31-14-16/h1-7,12-14,27,29H,8-11H2,(H3,25,26)(H,28,30)
Definition date:	2022-12-14
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide

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數據於2024-07-24公開中

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