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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

I5X

I5X
Name:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
Formula:	C23 H28 N4 O2 S
SMILES:	CSCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c3[nH]c4ccccc4n3
InChi:	InChI=1S/C23H28N4O2S/c1-13-19-17(11-23(2,3)12-18(19)28)24-20(13)22(29)27-16(9-10-30-4)21-25-14-7-5-6-8-15(14)26-21/h5-8,16,24H,9-12H2,1-4H3,(H,25,26)(H,27,29)/t16-/m0/s1
Definition date:	2022-06-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

I6L

I6L
Name:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)pentyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
Formula:	C24 H30 N4 O2
SMILES:	CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c3[nH]c4ccccc4n3
InChi:	InChI=1S/C24H30N4O2/c1-5-6-9-17(22-26-15-10-7-8-11-16(15)27-22)28-23(30)21-14(2)20-18(25-21)12-24(3,4)13-19(20)29/h7-8,10-11,17,25H,5-6,9,12-13H2,1-4H3,(H,26,27)(H,28,30)/t17-/m0/s1
Definition date:	2022-06-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)pentyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

I6S

I6S
Name:	3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide
Formula:	C24 H31 N3 O3
SMILES:	CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc3ccccc3
InChi:	InChI=1S/C24H31N3O3/c1-5-6-12-17(22(29)25-16-10-8-7-9-11-16)27-23(30)21-15(2)20-18(26-21)13-24(3,4)14-19(20)28/h7-11,17,26H,5-6,12-14H2,1-4H3,(H,25,29)(H,27,30)/t17-/m0/s1
Definition date:	2022-06-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide

I6Z

I6Z
Name:	~{N}-[(2~{S})-4-cyclopropyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
Formula:	C25 H31 N3 O3
SMILES:	Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[CH](CCC3CC3)C(=O)Nc4ccccc4
InChi:	InChI=1S/C25H31N3O3/c1-15-21-19(13-25(2,3)14-20(21)29)27-22(15)24(31)28-18(12-11-16-9-10-16)23(30)26-17-7-5-4-6-8-17/h4-8,16,18,27H,9-14H2,1-3H3,(H,26,30)(H,28,31)/t18-/m0/s1
Definition date:	2022-06-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	~{N}-[(2~{S})-4-cyclopropyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

QL0

QL0
Name:	3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H13 N O2 S
SMILES:	CN(CCS)C(=O)c1cccc(C=O)c1
InChi:	InChI=1S/C11H13NO2S/c1-12(5-6-15)11(14)10-4-2-3-9(7-10)8-13/h2-4,7-8,15H,5-6H2,1H3
Definition date:	2022-11-08
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

QL9

QL9
Name:	3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H12 Br N O2 S
SMILES:	CN(CCS)C(=O)c1ccc(C=O)c(Br)c1
InChi:	InChI=1S/C11H12BrNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3
Definition date:	2022-11-08
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

QQ0

QQ0
Name:	4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide
Formula:	C10 H13 N O3 S2
SMILES:	CN(CCS)[S](=O)(=O)c1ccc(C=O)cc1
InChi:	InChI=1S/C10H13NO3S2/c1-11(6-7-15)16(13,14)10-4-2-9(8-12)3-5-10/h2-5,8,15H,6-7H2,1H3
Definition date:	2022-11-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide

OQ3

OQ3
Name:	3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H12 Br N O2 S
SMILES:	CN(CCS)C(=O)c1cc(Br)cc(C=O)c1
InChi:	InChI=1S/C11H12BrNO2S/c1-13(2-3-16)11(15)9-4-8(7-14)5-10(12)6-9/h4-7,16H,2-3H2,1H3
Definition date:	2022-09-16
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

OQ9

OQ9
Name:	4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H13 N O2 S
SMILES:	CN(CCS)C(=O)c1ccc(C=O)cc1
InChi:	InChI=1S/C11H13NO2S/c1-12(6-7-15)11(14)10-4-2-9(8-13)3-5-10/h2-5,8,15H,6-7H2,1H3
Definition date:	2022-09-16
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

OYI

OYI
Name:	3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H12 F N O2 S
SMILES:	CN(CCS)C(=O)c1ccc(C=O)c(F)c1
InChi:	InChI=1S/C11H12FNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3
Definition date:	2022-09-28
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

MZI

MZI
Name:	2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate
Formula:	C20 H22 Cl N5 O4
SMILES:	O=C(Cc1ccc(NC(=O)COC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C20H22ClN5O4/c1-14(27)30-13-19(28)22-16-4-2-15(3-5-16)12-20(29)26-10-8-25(9-11-26)18-7-6-17(21)23-24-18/h2-7H,8-13H2,1H3,(H,22,28)
Definition date:	2022-03-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate

N06

N06
Name:	1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one
Formula:	C18 H22 Cl N5 O
SMILES:	O=C(Cc1ccc(cc1)N(C)C)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C18H22ClN5O/c1-22(2)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3
Definition date:	2022-03-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one

N0I

N0I
Name:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide
Formula:	C18 H22 Cl N5 O3 S
SMILES:	O=C(Cc1ccc(cc1)N(C)S(C)(=O)=O)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C18H22ClN5O3S/c1-22(28(2,26)27)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3
Definition date:	2022-03-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide

N0R

N0R
Name:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide
Formula:	C18 H20 Cl N5 O3
SMILES:	O=C(Cc1ccc(NC(=O)CO)cc1)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C18H20ClN5O3/c19-15-5-6-16(22-21-15)23-7-9-24(10-8-23)18(27)11-13-1-3-14(4-2-13)20-17(26)12-25/h1-6,25H,7-12H2,(H,20,26)
Definition date:	2022-03-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide

N1F

N1F
Name:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide
Formula:	C18 H20 Cl N5 O2
SMILES:	O=C(Cc1ccc(NC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C18H20ClN5O2/c1-13(25)20-15-4-2-14(3-5-15)12-18(26)24-10-8-23(9-11-24)17-7-6-16(19)21-22-17/h2-7H,8-12H2,1H3,(H,20,25)
Definition date:	2022-03-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide

ND6

ND6
Name:	6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
Formula:	C20 H23 N5 O2
SMILES:	O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#N)nn1
InChi:	InChI=1S/C20H23N5O2/c1-15(14-26)17-4-2-16(3-5-17)12-20(27)25-10-8-24(9-11-25)19-7-6-18(13-21)22-23-19/h2-7,15,26H,8-12,14H2,1H3/t15-/m0/s1
Definition date:	2022-03-31
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile

LU3

LU3
Name:	1,3-thiazol-2-ylmethanamine
Formula:	C4 H6 N2 S
SMILES:	NCc1sccn1
InChi:	InChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2
Definition date:	2022-12-08
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	1,3-thiazol-2-ylmethanamine

LV0

LV0
Name:	~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
Formula:	C21 H21 N3 O3 S
SMILES:	O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)NCc3sccn3
InChi:	InChI=1S/C21H21N3O3S/c25-19(21(27)23-14-18-22-11-12-28-18)17(13-15-7-3-1-4-8-15)24-20(26)16-9-5-2-6-10-16/h1-12,17,19,25H,13-14H2,(H,23,27)(H,24,26)/t17-,19+/m1/s1
Definition date:	2022-12-08
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide

LVF

LVF
Name:	2-(5-chloranyl-1H-indol-3-yl)ethanenitrile
Formula:	C10 H7 Cl N2
SMILES:	Clc1ccc2[nH]cc(CC#N)c2c1
InChi:	InChI=1S/C10H7ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2
Definition date:	2022-07-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	2-(5-chloranyl-1~{H}-indol-3-yl)ethanenitrile

LVU

LVU
Name:	2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile
Formula:	C9 H5 Br2 N3
SMILES:	Brc1cc2[nH]nc(CC#N)c2cc1Br
InChi:	InChI=1S/C9H5Br2N3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14)
Definition date:	2022-07-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	2-[5,6-bis(bromanyl)-1~{H}-indazol-3-yl]ethanenitrile

LVX

LVX
Name:	(1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide
Formula:	C25 H32 F2 N4 O5 S
SMILES:	COC[CH](NC(=O)[CH]1CCCC(F)(F)C1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)NCc3sccn3
InChi:	InChI=1S/C25H32F2N4O5S/c1-36-15-19(31-22(33)17-8-5-9-25(26,27)13-17)23(34)30-18(12-16-6-3-2-4-7-16)21(32)24(35)29-14-20-28-10-11-37-20/h2-4,6-7,10-11,17-19,21,32H,5,8-9,12-15H2,1H3,(H,29,35)(H,30,34)(H,31,33)/t17-,18-,19-,21+/m1/s1
Definition date:	2022-12-08
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide

O93

O93
Name:	2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:	C12 H27 B N2 O5
SMILES:	CN(C)C[CH]1CC[CH](CC[B](O)(O)[OH2+])C[C]1(N)C(O)=O
InChi:	InChI=1S/C12H27BN2O5/c1-15(2)8-10-4-3-9(5-6-13(18,19)20)7-12(10,14)11(16)17/h9-10,18-19H,3-8,14,20H2,1-2H3,(H,16,17)/q+1/t9-,10-,12+/m0/s1
Definition date:	2022-08-30
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-oxidaniumyl-bis(oxidanyl)boron

OJI

OJI
Name:	(2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C10 H13 N5 O4
SMILES:	Nc1ncc2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1
InChi:	InChI=1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1
Definition date:	2023-02-07
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

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