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X5W

X5W
Name:	[3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron
Formula:	C27 H25 B N3 O6
SMILES:	COc1ccc2c(OC)cc(nc2c1)C(=O)Nc3cc(cc(c3)C(=O)N(C)Cc4ccccc4)[B](O)=O
InChi:	InChI=1S/C27H25BN3O6/c1-31(16-17-7-5-4-6-8-17)27(33)18-11-19(28(34)35)13-20(12-18)29-26(32)24-15-25(37-3)22-10-9-21(36-2)14-23(22)30-24/h4-15,34H,16H2,1-3H3,(H,29,32)
Definition date:	2023-06-02
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	[3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron

WO0

WO0
Name:	[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid
Formula:	C17 H30 O3
SMILES:	O=C(O)CC1(O)CC2C(CC1C)C(C)(C)CCC2(C)C
InChi:	InChI=1S/C17H30O3/c1-11-8-12-13(9-17(11,20)10-14(18)19)16(4,5)7-6-15(12,2)3/h11-13,20H,6-10H2,1-5H3,(H,18,19)/t11-,12+,13+,17-/m0/s1
Definition date:	2023-05-15
Last modified:	2024-01-31
Release date:	2023-06-14
Identifier:	[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid

ZLI

ZLI
Name:	~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide
Formula:	C14 H15 N O S
SMILES:	Cc1ccc(CNC(=O)Cc2sccc2)cc1
InChi:	InChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)10-15-14(16)9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide

YXJ

YXJ
Name:	5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide
Formula:	C21 H28 N6 O
SMILES:	NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCCC1
InChi:	InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26)
Definition date:	2023-03-03
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide

ZLO

ZLO
Name:	~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
Formula:	C5 H7 N3 O S2
SMILES:	CSc1nsc(NC(C)=O)n1
InChi:	InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide

ZLT

ZLT
Name:	~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
Formula:	C10 H12 N2 O3 S
SMILES:	O=C(NC(=S)N1CCOCC1)c2occc2
InChi:	InChI=1S/C10H12N2O3S/c13-9(8-2-1-5-15-8)11-10(16)12-3-6-14-7-4-12/h1-2,5H,3-4,6-7H2,(H,11,13,16)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide

ZLX

ZLX
Name:	methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Formula:	C11 H13 N O5
SMILES:	COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
InChi:	InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m0/s1
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

ZM8

ZM8
Name:	1-[4-(cyclopropylamino)piperidin-1-yl]ethanone
Formula:	C10 H18 N2 O
SMILES:	CC(=O)N1CCC(CC1)NC2CC2
InChi:	InChI=1S/C10H18N2O/c1-8(13)12-6-4-10(5-7-12)11-9-2-3-9/h9-11H,2-7H2,1H3
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	1-[4-(cyclopropylamino)piperidin-1-yl]ethanone

ZMC

ZMC
Name:	~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine
Formula:	C14 H14 N2 O2
SMILES:	C1Oc2ccc(CNCc3ccncc3)cc2O1
InChi:	InChI=1S/C14H14N2O2/c1-2-13-14(18-10-17-13)7-12(1)9-16-8-11-3-5-15-6-4-11/h1-7,16H,8-10H2
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine

ZMI

ZMI
Name:	~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
Formula:	C11 H10 F N3 O2
SMILES:	Cc1onc(c1)C(=O)NNc2ccccc2F
InChi:	InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-5-3-2-4-8(9)12/h2-6,13H,1H3,(H,14,16)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

ZMT

ZMT
Name:	~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide
Formula:	C9 H11 N5 O S
SMILES:	CCCn1nnnc1NC(=O)c2sccc2
InChi:	InChI=1S/C9H11N5OS/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide

ZP8

ZP8
Name:	1-(2-cyanoethanoyl)piperidine-4-carboxamide
Formula:	C9 H13 N3 O2
SMILES:	NC(=O)C1CCN(CC1)C(=O)CC#N
InChi:	InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)
Definition date:	2023-06-29
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	1-(2-cyanoethanoyl)piperidine-4-carboxamide

ZPI

ZPI
Name:	6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile
Formula:	C13 H12 N2
SMILES:	N#Cc1cccc2c3CCCCc3[nH]c12
InChi:	InChI=1S/C13H12N2/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h3-4,6,15H,1-2,5,7H2
Definition date:	2023-06-29
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile

ZPU

ZPU
Name:	4-propan-2-yl-~{N}-pyridin-2-yl-benzamide
Formula:	C15 H16 N2 O
SMILES:	CC(C)c1ccc(cc1)C(=O)Nc2ccccn2
InChi:	InChI=1S/C15H16N2O/c1-11(2)12-6-8-13(9-7-12)15(18)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17,18)
Definition date:	2023-06-29
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	4-propan-2-yl-~{N}-pyridin-2-yl-benzamide

YQN

YQN
Name:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide
Formula:	C28 H33 N5 O4
SMILES:	CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)[CH]4C=NC(=O)NC4=O
InChi:	InChI=1S/C28H33N5O4/c1-28(2,3)19-11-13-21(14-12-19)33(26(36)22-17-30-27(37)32-24(22)34)23(18-8-7-15-29-16-18)25(35)31-20-9-5-4-6-10-20/h7-8,11-17,20,22-23H,4-6,9-10H2,1-3H3,(H,31,35)(H,32,34,37)/t22-,23-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide

YCB

YCB
Name:	~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine
Formula:	C25 H34 N6
SMILES:	CN(C)CCCNc1nc(NCC2CCNCC2)c3cc(ccc3n1)c4ccccc4
InChi:	InChI=1S/C25H34N6/c1-31(2)16-6-13-27-25-29-23-10-9-21(20-7-4-3-5-8-20)17-22(23)24(30-25)28-18-19-11-14-26-15-12-19/h3-5,7-10,17,19,26H,6,11-16,18H2,1-2H3,(H2,27,28,29,30)
Definition date:	2023-06-13
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine

8RX

8RX
Name:	(3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid
Formula:	C11 H17 N3 O S
SMILES:	SC(=N)N1CC[CH](C1)C(=O)NCCCC#C
InChi:	InChI=1S/C11H17N3OS/c1-2-3-4-6-13-10(15)9-5-7-14(8-9)11(12)16/h1,9H,3-8H2,(H2,12,16)(H,13,15)/t9-/m1/s1
Definition date:	2023-07-14
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid

GKO

GKO
Name:	(2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide
Formula:	C22 H27 N7 O2
SMILES:	CN1CCN(C[CH]1C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C)C=N
InChi:	InChI=1S/C22H27N7O2/c1-3-4-5-10-24-21(30)17-6-8-18(9-7-17)29-14-20(25-16-29)26-22(31)19-13-28(15-23)12-11-27(19)2/h1,6-9,14-16,19,23H,4-5,10-13H2,2H3,(H,24,30)(H,26,31)
Definition date:	2023-07-21
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide

JUU

JUU
Name:	[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid
Formula:	C18 H22 N2 O3
SMILES:	N[CH](Cc1ccccc1)[CH](O)CN(Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C18H22N2O3/c19-16(11-14-7-3-1-4-8-14)17(21)13-20(18(22)23)12-15-9-5-2-6-10-15/h1-10,16-17,21H,11-13,19H2,(H,22,23)/t16-,17+/m0/s1
Definition date:	2023-08-09
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid

A1ABZ

A1ABZ
Name:	(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
Formula:	C18 H19 N4 O7 P
SMILES:	O=C(O)C(Cc1c[NH]c2ncccc21)=NC=C1/C(O)=C(C)NC=C1COP(=O)(O)O
InChi:	InChI=1S/C18H19N4O7P/c1-10-16(23)14(12(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)5-11-6-22-17-13(11)3-2-4-19-17/h2-4,6-8,20,23H,5,9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)/b14-8-,21-15+
Definition date:	2024-01-05
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

A1ACN

A1ACN
Name:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine
Formula:	C18 H19 N4 O7 P
SMILES:	O=P(O)(O)OCc1cnc(C)c(O)c1/C=N/C(Cc1c[NH]c2ncccc21)C(=O)O
InChi:	InChI=1S/C18H19N4O7P/c1-10-16(23)14(12(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)5-11-6-22-17-13(11)3-2-4-19-17/h2-4,6-8,15,23H,5,9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)
Definition date:	2024-01-14
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine

A1H2D

A1H2D
Name:	(2~{S})-2-azanyl-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]propanoic acid
Formula:	C11 H14 N2 O2
SMILES:	N[CH](C[CH]1CNc2ccccc12)C(O)=O
InChi:	InChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/t7-,9+/m1/s1
Definition date:	2024-01-17
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(2~{S})-2-azanyl-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]propanoic acid

A1H2E

A1H2E
Name:	1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine
Formula:	C17 H24 N4 O3 P
SMILES:	N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2
InChi:	InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1
Definition date:	2024-01-17
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	[azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium

EFH

EFH
Name:	(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one
Formula:	C28 H24 F N5 O4
SMILES:	Fc1cccc(c1)[CH]2[CH](N(C3CCN(CC3)C(=O)n4nnc5ccccc45)C2=O)c6ccc7OCOc7c6
InChi:	InChI=1S/C28H24FN5O4/c29-19-5-3-4-17(14-19)25-26(18-8-9-23-24(15-18)38-16-37-23)33(27(25)35)20-10-12-32(13-11-20)28(36)34-22-7-2-1-6-21(22)30-31-34/h1-9,14-15,20,25-26H,10-13,16H2/t25-,26-/m1/s1
Definition date:	2023-07-18
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one

EJI

EJI
Name:	methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate
Formula:	C23 H23 F N2 O4
SMILES:	COC(=O)c1ccc(cc1)[CH]2[CH](C(=O)N2C3CCN(CC3)C=O)c4ccc(F)cc4
InChi:	InChI=1S/C23H23FN2O4/c1-30-23(29)17-4-2-16(3-5-17)21-20(15-6-8-18(24)9-7-15)22(28)26(21)19-10-12-25(14-27)13-11-19/h2-9,14,19-21H,10-13H2,1H3/t20-,21+/m1/s1
Definition date:	2023-07-18
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate

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