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5UQ

5UQ
Name:	(3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione
Formula:	C12 H22 N2 O5
SMILES:	C[CH](CCO)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O
InChi:	InChI=1S/C12H22N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h7-9,15-16,19H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,8-,9-,12+/m0/s1
Definition date:	2021-08-24
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3~{S},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione

5WI

5WI
Name:	(3S,6Z)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione
Formula:	C12 H20 N2 O4
SMILES:	CC[CH](C)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO
InChi:	InChI=1S/C12H20N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h5,7,9,15,18H,4,6H2,1-3H3,(H,13,17)(H,14,16)/b8-5-/t7-,9-,12+/m0/s1
Definition date:	2021-08-24
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3~{S},6~{Z})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione

FIZ

FIZ
Name:	2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one
Formula:	C22 H25 Cl2 N5 O2
SMILES:	C[CH]1OCC2(CCN(CC2)C3=Nn4ccc(c5cccc(Cl)c5Cl)c4C(=O)N3C)[CH]1N
InChi:	InChI=1S/C22H25Cl2N5O2/c1-13-19(25)22(12-31-13)7-10-28(11-8-22)21-26-29-9-6-15(18(29)20(30)27(21)2)14-4-3-5-16(23)17(14)24/h3-6,9,13,19H,7-8,10-12,25H2,1-2H3/t13-,19-/m0/s1
Definition date:	2022-04-28
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	2-[(3~{S},4~{R})-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one

K1F

K1F
Name:	[(2R,3S,4R,5R)-5-(3-aminocarbonyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N3 O9 P
SMILES:	NC(=O)C1=NC=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
InChi:	InChI=1S/C10H14N3O9P/c11-8(16)5-9(17)13(2-1-12-5)10-7(15)6(14)4(22-10)3-21-23(18,19)20/h1-2,4,6-7,10,14-15H,3H2,(H2,11,16)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Synonyms:	Beta-D-riboruranosyl-3-oxo-2-pyrazinecarboxamide
Definition date:	2022-09-06
Last modified:	2023-02-08
Release date:	2022-12-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

I49

I49
Name:	1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine
Formula:	C10 H13 Cl I N5
SMILES:	NC(=N)NC(=N)NCCc1ccc(I)c(Cl)c1
InChi:	InChI=1S/C10H13ClIN5/c11-7-5-6(1-2-8(7)12)3-4-16-10(15)17-9(13)14/h1-2,5H,3-4H2,(H6,13,14,15,16,17)
Definition date:	2022-02-10
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine

XC9

XC9
Name:	1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine
Formula:	C22 H30 Cl2 N10
SMILES:	Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
InChi:	InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
Definition date:	2022-11-11
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide]

I5K

I5K
Name:	1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one
Formula:	C16 H18 N2 O
SMILES:	Cc1[nH]c(c2CCCCC(=O)c12)c3cccc(N)c3
InChi:	InChI=1S/C16H18N2O/c1-10-15-13(7-2-3-8-14(15)19)16(18-10)11-5-4-6-12(17)9-11/h4-6,9,18H,2-3,7-8,17H2,1H3
Definition date:	2022-02-11
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one

U0C

U0C
Name:	6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine
Formula:	C27 H32 N4 O3
SMILES:	COc1cc(cc(OC)c1OC)c2cncc3c2CN(C)Cc4cc(ccc34)N5CCNCC5
InChi:	InChI=1S/C27H32N4O3/c1-30-16-19-11-20(31-9-7-28-8-10-31)5-6-21(19)23-15-29-14-22(24(23)17-30)18-12-25(32-2)27(34-4)26(13-18)33-3/h5-6,11-15,28H,7-10,16-17H2,1-4H3
Definition date:	2023-01-18
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine

I6D

I6D
Name:	7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:	C9 H7 N3 S
SMILES:	Cc1ccc2sc3nncn3c2c1
InChi:	InChI=1S/C9H7N3S/c1-6-2-3-8-7(4-6)12-5-10-11-9(12)13-8/h2-5H,1H3
Definition date:	2022-02-12
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

R7E

R7E
Name:	5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide
Formula:	C18 H22 N2 O6
SMILES:	C[CH]1O[CH](NC(=O)c2oc(cc2)c3cccc(CN)c3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C18H22N2O6/c1-9-14(21)15(22)16(23)18(25-9)20-17(24)13-6-5-12(26-13)11-4-2-3-10(7-11)8-19/h2-7,9,14-16,18,21-23H,8,19H2,1H3,(H,20,24)/t9-,14+,15+,16-,18-/m0/s1
Synonyms:	(5-(3'-aminomethyl)phenyl)furan-2-carboxamido-b-L-fucopyranose
Definition date:	2022-11-23
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide

XG0

XG0
Name:	4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one
Formula:	C22 H24 Cl N3 O
SMILES:	Clc1ccc(cc1)CC1=NN(C(=O)c2ccccc21)C1CCCN(C)CC1
InChi:	InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/t18-/m0/s1
Definition date:	2022-11-15
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one

R8U

R8U
Name:	Zoliflodacin
Formula:	C22 H22 F N5 O7
SMILES:	C[CH]1CN2[CH]([CH](C)O1)C3(Cc4cc5c(onc5N6[CH](C)COC6=O)c(F)c24)C(=O)NC(=O)NC3=O
InChi:	InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1
Synonyms:	(4'~{R},6'~{S},7'~{S})-17'-fluoranyl-4',6'-dimethyl-13'-[(4~{S})-4-methyl-2-oxidanylidene-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
Definition date:	2022-11-26
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	(4'~{R},6'~{S},7'~{S})-17'-fluoranyl-4',6'-dimethyl-13'-[(4~{S})-4-methyl-2-oxidanylidene-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione

X7B

X7B
Name:	[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-4-[[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate
Formula:	C28 H36 B N2 O11 S
SMILES:	CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5c(c4)C(=O)O[B-]5(O)O
InChi:	InChI=1S/C28H36BN2O11S/c1-17(2)14-31(43(37,38)19-8-9-22-21(13-19)26(33)42-29(22,35)36)15-24(32)23(12-18-6-4-3-5-7-18)30-28(34)41-25-16-40-27-20(25)10-11-39-27/h3-9,13,17,20,23-25,27,32,35-36H,10-12,14-16H2,1-2H3,(H,30,34)/q-1/t20-,23-,24+,25-,27+/m0/s1
Definition date:	2022-11-03
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-4-[[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

S9I

S9I
Name:	2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
Formula:	C19 H22 N6 O S
SMILES:	Cc1ccc(nc1)C1CC1COc1cc(nc(C)n1)NCc1nnc(C)s1
InChi:	InChI=1S/C19H22N6OS/c1-11-4-5-16(20-8-11)15-6-14(15)10-26-18-7-17(22-12(2)23-18)21-9-19-25-24-13(3)27-19/h4-5,7-8,14-15H,6,9-10H2,1-3H3,(H,21,22,23)/t14-,15+/m1/s1
Definition date:	2022-06-29
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

IKV

IKV
Name:	[(2~{R})-2-hexadecanoyloxy-3-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propyl] hexadecanoate
Formula:	C41 H78 O10
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C41H78O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-42,45-47H,3-33H2,1-2H3/t34-,35-,38-,39+,40-,41-/m0/s1
Definition date:	2022-03-29
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	[(2~{R})-2-hexadecanoyloxy-3-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propyl] hexadecanoate

KIP

KIP
Name:	[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{5}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
Formula:	C24 H51 N O7 P
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C
InChi:	InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1/t23-/m1/s1
Definition date:	2022-09-22
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	2-[[(2~{R})-3-hexadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

KR9

KR9
Name:	~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
Formula:	C29 H24 F3 N5 O4
SMILES:	CNC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3ccc4cncc(c5cc(OC(F)(F)F)ccc5OC)c4n3
InChi:	InChI=1S/C29H24F3N5O4/c1-33-27(38)24(11-17-14-35-22-6-4-3-5-19(17)22)37-28(39)23-9-7-16-13-34-15-21(26(16)36-23)20-12-18(41-29(30,31)32)8-10-25(20)40-2/h3-10,12-15,24,35H,11H2,1-2H3,(H,33,38)(H,37,39)/t24-/m0/s1
Definition date:	2022-10-13
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide

82H

82H
Name:	Velsecorat
Formula:	C32 H32 F2 N4 O6
SMILES:	C[CH](NC(=O)C(C)(F)F)[CH](Oc1ccc2n(ncc2c1)c3cccc(c3)C(=O)N[CH]4CCOC4)c5ccc6OCCOc6c5
InChi:	InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
Synonyms:	3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide
Definition date:	2021-09-28
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	3-[5-[(1~{R},2~{S})-2-[2,2-bis(fluoranyl)propanoylamino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-~{N}-[(3~{R})-oxolan-3-yl]benzamide

9LC

9LC
Name:	(4S,4aS,6aR,8R,9R,11E,12aR,14aS,17E,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-11,12a,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,12a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)cyclobuta[b]naphtho[2,1-j][1]azacyclotetradecine-16,18(1H,15H)-dione
Formula:	C30 H43 N O5
SMILES:	CC[CH]1CC(=C[C]2(C)[CH](C)C[C]23NC(=O)C(=C3O)C(=O)[C]4(C)[CH](C[CH]1O)C=C[CH]5[CH](O)CCC[CH]45)C
InChi:	InChI=1S/C30H43NO5/c1-6-18-12-16(2)14-28(4)17(3)15-30(28)26(35)24(27(36)31-30)25(34)29(5)19(13-23(18)33)10-11-20-21(29)8-7-9-22(20)32/h10-11,14,17-23,32-33,35H,6-9,12-13,15H2,1-5H3,(H,31,36)/b16-14+/t17-,18-,19+,20+,21-,22+,23-,28+,29-,30-/m1/s1
Definition date:	2022-03-11
Last modified:	2023-02-03
Release date:	2023-02-08

A3I

A3I
Name:	(4S,4aS,6aR,8R,9R,10aS,13S,14aS,18aR,18bR,E)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,10a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)benzo[b]naphtho[2,1-h][1]azacyclododecine-16,18(1H,15H)-dione
Formula:	C30 H43 N O5
SMILES:	CC[CH]1C[C]2(C)C=C(C)[CH](C)C[C]23NC(=O)C(=C3O)C(=O)[C]4(C)[CH](C[CH]1O)C=C[CH]5[CH](O)CCC[CH]45
InChi:	InChI=1S/C30H43NO5/c1-6-18-15-28(4)13-16(2)17(3)14-30(28)26(35)24(27(36)31-30)25(34)29(5)19(12-23(18)33)10-11-20-21(29)8-7-9-22(20)32/h10-11,13,17-23,32-33,35H,6-9,12,14-15H2,1-5H3,(H,31,36)/t17-,18+,19-,20-,21+,22-,23+,28+,29+,30+/m0/s1
Definition date:	2022-03-15
Last modified:	2023-02-03
Release date:	2023-02-08

P3X

P3X
Name:	(5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate
Formula:	C35 H68 N O8 P
SMILES:	NCCOP(O)(=O)OCC(COC(=O)CCCCCCCC=CCCCC)OC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12,33H,3-9,11,13-32,36H2,1-2H3,(H,39,40)/b12-10+/t33-/m1/s1
Definition date:	2022-12-16
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	(5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate

648

648
Name:	1-[3-(thiophen-3-yl)benzyl]piperidin-2-one
Formula:	C16 H17 N O S
SMILES:	C1CC(=O)N(CC1)Cc2cc(ccc2)c3ccsc3
InChi:	InChI=1S/C16H17NOS/c18-16-6-1-2-8-17(16)11-13-4-3-5-14(10-13)15-7-9-19-12-15/h3-5,7,9-10,12H,1-2,6,8,11H2
Definition date:	2016-01-23
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	1-[3-(thiophen-3-yl)benzyl]piperidin-2-one

5VA

5VA
Name:	~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine
Formula:	C12 H13 N S
SMILES:	CNCc1cccc(c1)c2cscc2
InChi:	InChI=1S/C12H13NS/c1-13-8-10-3-2-4-11(7-10)12-5-6-14-9-12/h2-7,9,13H,8H2,1H3
Definition date:	2015-12-07
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine

5VB

5VB
Name:	1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one
Formula:	C15 H13 N O S
SMILES:	O=C1CC=CN1Cc2cccc(c2)c3cscc3
InChi:	InChI=1S/C15H13NOS/c17-15-5-2-7-16(15)10-12-3-1-4-13(9-12)14-6-8-18-11-14/h1-4,6-9,11H,5,10H2
Definition date:	2015-12-07
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one

62J

62J
Name:	methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate
Formula:	C20 H25 N O2 S
SMILES:	C1C(C(=O)OC)CCC(C1)CNCc3cc(c2ccsc2)ccc3
InChi:	InChI=1S/C20H25NO2S/c1-23-20(22)17-7-5-15(6-8-17)12-21-13-16-3-2-4-18(11-16)19-9-10-24-14-19/h2-4,9-11,14-15,17,21H,5-8,12-13H2,1H3/t15-,17+
Definition date:	2016-01-17
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate

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