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IIS

IIS
Name:	4-iodanylpyridin-2-amine
Formula:	C5 H5 I N2
SMILES:	Nc1cc(I)ccn1
InChi:	InChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-iodanylpyridin-2-amine

IIV

IIV
Name:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide
Formula:	C9 H12 Br N3 O3
SMILES:	CC(=O)N[CH](CC(N)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C9H12BrN3O3/c1-6(14)13-7(5-8(11)15)9(16)12-4-2-3-10/h7H,4-5H2,1H3,(H2,11,15)(H,12,16)(H,13,14)/t7-/m0/s1
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide

IIY

IIY
Name:	(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide
Formula:	C7 H10 N2 O2
SMILES:	CC(=O)NCC(=O)N=CC=C
InChi:	InChI=1S/C7H10N2O2/c1-3-4-8-7(11)5-9-6(2)10/h3-4H,1,5H2,2H3,(H,9,10)/b8-4+
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide

IJ3

IJ3
Name:	(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide
Formula:	C10 H19 Br N2 O2
SMILES:	CC(C)[CH](NC(C)=O)C(=O)NCCCBr
InChi:	InChI=1S/C10H19BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide

IJF

IJF
Name:	(4-bromanylpyridin-2-yl)methanol
Formula:	C6 H6 Br N O
SMILES:	OCc1cc(Br)ccn1
InChi:	InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(4-bromanylpyridin-2-yl)methanol

IJI

IJI
Name:	(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide
Formula:	C11 H19 N5 O2
SMILES:	CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C
InChi:	InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide

IJL

IJL
Name:	4-iodanylbenzamide
Formula:	C7 H6 I N O
SMILES:	NC(=O)c1ccc(I)cc1
InChi:	InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-iodanylbenzamide

IJO

IJO
Name:	4-bromanyl-2-methoxy-pyridine
Formula:	C6 H6 Br N O
SMILES:	COc1cc(Br)ccn1
InChi:	InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-bromanyl-2-methoxy-pyridine

IJR

IJR
Name:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide
Formula:	C8 H11 Br N2 O2
SMILES:	C[CH](NC(C)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C8H11BrN2O2/c1-6(11-7(2)12)8(13)10-5-3-4-9/h6H,5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide

IJU

IJU
Name:	4-bromanyl-2-(methoxymethyl)pyridine
Formula:	C7 H8 Br N O
SMILES:	COCc1cc(Br)ccn1
InChi:	InChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-bromanyl-2-(methoxymethyl)pyridine

IJX

IJX
Name:	~{N}-(4-bromophenyl)ethanamide
Formula:	C8 H8 Br N O
SMILES:	CC(=O)Nc1ccc(Br)cc1
InChi:	InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-(4-bromophenyl)ethanamide

IK3

IK3
Name:	(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
Formula:	C14 H18 N2 O3
SMILES:	CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C
InChi:	InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide

TTU

TTU
Name:	[(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Formula:	C30 H32 N2 O3
SMILES:	CCN1CCC(C1)Oc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:	InChI=1S/C30H32N2O3/c1-2-31-17-14-26(20-31)35-25-11-8-21(9-12-25)28-27-13-10-24(33)18-23(27)19-30(15-16-30)32(28)29(34)22-6-4-3-5-7-22/h3-13,18,26,28,33H,2,14-17,19-20H2,1H3/t26-,28+/m0/s1
Definition date:	2022-07-28
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	[(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone

K4C

K4C
Name:	ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Formula:	C16 H17 N5 O2
SMILES:	CCCc1nc2ncnn2c(c3ccncc3)c1C(=O)OCC
InChi:	InChI=1S/C16H17N5O2/c1-3-5-12-13(15(22)23-4-2)14(11-6-8-17-9-7-11)21-16(20-12)18-10-19-21/h6-10H,3-5H2,1-2H3
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

K4O

K4O
Name:	~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:	C13 H12 F N5
SMILES:	Cc1cc(NCc2ccccc2F)n3ncnc3n1
InChi:	InChI=1S/C13H12FN5/c1-9-6-12(19-13(18-9)16-8-17-19)15-7-10-4-2-3-5-11(10)14/h2-6,8,15H,7H2,1H3
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IWQ

IWQ
Name:	(2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
Formula:	C32 H35 N9 O8
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCC(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCCCNC(=O)OCc4ccccc4)C(O)=O
InChi:	InChI=1S/C32H35N9O8/c33-31-40-26-25(29(45)41-31)35-16-23(38-26)27(43)36-17-24(42)37-22(15-19-9-3-1-4-10-19)28(44)39-21(30(46)47)13-7-8-14-34-32(48)49-18-20-11-5-2-6-12-20/h1-6,9-12,16,21-22H,7-8,13-15,17-18H2,(H,34,48)(H,36,43)(H,37,42)(H,39,44)(H,46,47)(H3,33,38,40,41,45)/t21-,22-/m0/s1
Definition date:	2022-07-27
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(2~{S})-2-[[(2~{S})-2-[2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

K4X

K4X
Name:	2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid
Formula:	C16 H16 F3 N3 O3 S
SMILES:	C[CH]1CCc2nc(SCC(=O)NCC(O)=O)c(C#N)c(c2C1)C(F)(F)F
InChi:	InChI=1S/C16H16F3N3O3S/c1-8-2-3-11-9(4-8)14(16(17,18)19)10(5-20)15(22-11)26-7-12(23)21-6-13(24)25/h8H,2-4,6-7H2,1H3,(H,21,23)(H,24,25)/t8-/m0/s1
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid

K5I

K5I
Name:	2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid
Formula:	C19 H11 F3 N2 O2 S2
SMILES:	OC(=O)C(Sc1nc(cc(c1C#N)C(F)(F)F)c2sccc2)c3ccccc3
InChi:	InChI=1S/C19H11F3N2O2S2/c20-19(21,22)13-9-14(15-7-4-8-27-15)24-17(12(13)10-23)28-16(18(25)26)11-5-2-1-3-6-11/h1-9,16H,(H,25,26)
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid

K5U

K5U
Name:	2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
Formula:	C16 H13 Cl N4 O S
SMILES:	Clc1ccccc1Nc2scc(n2)C(=O)NCc3ccccn3
InChi:	InChI=1S/C16H13ClN4OS/c17-12-6-1-2-7-13(12)20-16-21-14(10-23-16)15(22)19-9-11-5-3-4-8-18-11/h1-8,10H,9H2,(H,19,22)(H,20,21)
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

K69

K69
Name:	1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one
Formula:	C17 H20 N6 O2
SMILES:	CN1C(=O)N(C)c2cc(Nc3cc(ncn3)N4CCOCC4)ccc12
InChi:	InChI=1S/C17H20N6O2/c1-21-13-4-3-12(9-14(13)22(2)17(21)24)20-15-10-16(19-11-18-15)23-5-7-25-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,20)
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one

K6R

K6R
Name:	2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile
Formula:	C13 H10 Cl N3
SMILES:	Clc1nccc(NCc2ccccc2)c1C#N
InChi:	InChI=1S/C13H10ClN3/c14-13-11(8-15)12(6-7-16-13)17-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,16,17)
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile

TZI

TZI
Name:	[(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Formula:	C32 H35 F N2 O3
SMILES:	FCCCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:	InChI=1S/C32H35FN2O3/c33-16-4-17-34-18-13-23(21-34)22-38-28-10-7-24(8-11-28)30-29-12-9-27(36)19-26(29)20-32(14-15-32)35(30)31(37)25-5-2-1-3-6-25/h1-3,5-12,19,23,30,36H,4,13-18,20-22H2/t23-,30-/m1/s1
Definition date:	2022-07-29
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	[(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone

KA9

KA9
Name:	1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one
Formula:	C20 H19 N5 O S
SMILES:	CN1C(=O)N(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)ccc12
InChi:	InChI=1S/C20H19N5OS/c1-24-16-9-8-15(10-17(16)25(2)20(24)26)23-18-11-19(22-13-21-18)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22,23)
Definition date:	2022-05-23
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one

KCB

KCB
Name:	(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:	C20 H21 Cl N4 O3
SMILES:	COc1ccc([CH]2C[CH](Nc3ncnn23)c4ccc(Cl)cc4)c(OC)c1OC
InChi:	InChI=1S/C20H21ClN4O3/c1-26-17-9-8-14(18(27-2)19(17)28-3)16-10-15(12-4-6-13(21)7-5-12)24-20-22-11-23-25(16)20/h4-9,11,15-16H,10H2,1-3H3,(H,22,23,24)/t15-,16+/m0/s1
Definition date:	2022-05-23
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

JKC

JKC
Name:	(2S)-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoic acid
Formula:	C13 H18 N2 O4
SMILES:	N[CH](CCCNC(=O)OCc1ccccc1)C(O)=O
InChi:	InChI=1S/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
Definition date:	2022-08-18
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(2~{S})-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoic acid

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