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XJM

XJM
Name:	5-methyl-1H-tetrazole
Formula:	C2 H4 N4
SMILES:	Cc1nnnn1
InChi:	InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	5-methyl-1H-tetrazole

XJP

XJP
Name:	(2S,4R)-1,3-thiazolidine-2,4-diamine
Formula:	C3 H9 N3 S
SMILES:	NC1NC(SC1)N
InChi:	InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2S,4R)-1,3-thiazolidine-2,4-diamine

XJV

XJV
Name:	imidazolidin-2-one
Formula:	C3 H6 N2 O
SMILES:	O=C1NCCN1
InChi:	InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	imidazolidin-2-one

XJY

XJY
Name:	cyclobutylboronic acid
Formula:	C4 H9 B O2
SMILES:	OB(O)C1CCC1
InChi:	InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	cyclobutylboronic acid

XK1

XK1
Name:	1-[(4R)-1,3-oxazolidin-4-yl]methanamine
Formula:	C4 H10 N2 O
SMILES:	NCC1NCOC1
InChi:	InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-[(4R)-1,3-oxazolidin-4-yl]methanamine

XK4

XK4
Name:	(3R)-1,2-oxazolidin-3-amine
Formula:	C3 H8 N2 O
SMILES:	NC1NOCC1
InChi:	InChI=1S/C3H8N2O/c4-3-1-2-6-5-3/h3,5H,1-2,4H2/t3-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3R)-1,2-oxazolidin-3-amine

XK7

XK7
Name:	1-aminocyclopropane-1-carboxamide
Formula:	C4 H8 N2 O
SMILES:	NC(=O)C1(CC1)N
InChi:	InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7)
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-aminocyclopropane-1-carboxamide

XKD

XKD
Name:	N-methyl-D-alaninamide
Formula:	C4 H10 N2 O
SMILES:	CNC(=O)C(C)N
InChi:	InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-methyl-D-alaninamide

XKS

XKS
Name:	azetidin-3-ol
Formula:	C3 H7 N O
SMILES:	OC1CNC1
InChi:	InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2
Definition date:	2020-12-18
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	azetidin-3-ol

XKV

XKV
Name:	(2R)-2-aminobutanamide
Formula:	C4 H10 N2 O
SMILES:	CCC(N)C(N)=O
InChi:	InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)
Definition date:	2020-12-18
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2R)-2-aminobutanamide

XKY

XKY
Name:	(4S)-imidazolidine-4-carbonitrile
Formula:	C4 H7 N3
SMILES:	N#CC1NCNC1
InChi:	InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h4,6-7H,2-3H2
Definition date:	2020-12-18
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(4S)-imidazolidine-4-carbonitrile

JOR

JOR
Name:	5-fluoranyl-2-(methylsulfonylamino)benzoic acid
Formula:	C8 H8 F N O4 S
SMILES:	C[S](=O)(=O)Nc1ccc(F)cc1C(O)=O
InChi:	InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
Definition date:	2020-06-10
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	5-fluoranyl-2-(methylsulfonylamino)benzoic acid

LB6

LB6
Name:	N-[(6-bromo-1H-indol-1-yl)acetyl]glycine
Formula:	C12 H11 Br N2 O3
SMILES:	O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21
InChi:	InChI=1S/C12H11BrN2O3/c13-9-2-1-8-3-4-15(10(8)5-9)7-11(16)14-6-12(17)18/h1-5H,6-7H2,(H,14,16)(H,17,18)
Definition date:	2021-04-05
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-[(6-bromo-1H-indol-1-yl)acetyl]glycine

NL3

NL3
Name:	3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid
Formula:	C21 H14 Cl N3 O2 S
SMILES:	O=C(O)c1cc(n[NH]1)Cn1ccc2ccc(cc21)c1cc2cccc(Cl)c2s1
InChi:	InChI=1S/C21H14ClN3O2S/c22-16-3-1-2-14-9-19(28-20(14)16)13-5-4-12-6-7-25(18(12)8-13)11-15-10-17(21(26)27)24-23-15/h1-10H,11H2,(H,23,24)(H,26,27)
Definition date:	2021-04-05
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid

QDZ

QDZ
Name:	~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
Formula:	C21 H21 N7
SMILES:	CN(C)Cc1cnn(c1)c2ccnc3[nH]c(nc23)c4cccc5n(C)ccc45
InChi:	InChI=1S/C21H21N7/c1-26(2)12-14-11-23-28(13-14)18-7-9-22-21-19(18)24-20(25-21)16-5-4-6-17-15(16)8-10-27(17)3/h4-11,13H,12H2,1-3H3,(H,22,24,25)
Definition date:	2020-06-09
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine

QE2

QE2
Name:	5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
Formula:	C17 H16 F N O4 S
SMILES:	OC(=O)c1cc(F)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2
InChi:	InChI=1S/C17H16FNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,20,21)
Definition date:	2020-06-09
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid

QE5

QE5
Name:	2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid
Formula:	C15 H14 F N O4 S
SMILES:	Cc1ccc(cc1C)[S](=O)(=O)Nc2ccc(F)cc2C(O)=O
InChi:	InChI=1S/C15H14FNO4S/c1-9-3-5-12(7-10(9)2)22(20,21)17-14-6-4-11(16)8-13(14)15(18)19/h3-8,17H,1-2H3,(H,18,19)
Definition date:	2020-06-10
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid

QEK

QEK
Name:	2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid
Formula:	C23 H19 Cl N4 O5 S
SMILES:	Cc1ccc(N[S](=O)(=O)c2ccc(CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)c(c1)C(O)=O
InChi:	InChI=1S/C23H19ClN4O5S/c1-13-6-9-20(17(10-13)23(30)31)28-34(32,33)15-8-7-14(18(24)11-15)12-25-22(29)21-16-4-2-3-5-19(16)26-27-21/h2-11,28H,12H2,1H3,(H,25,29)(H,26,27)(H,30,31)
Definition date:	2020-06-10
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid

QEN

QEN
Name:	5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid
Formula:	C17 H12 Br N O4 S
SMILES:	OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3ccccc3c2
InChi:	InChI=1S/C17H12BrNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,19H,(H,20,21)
Definition date:	2020-06-10
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid

QEZ

QEZ
Name:	5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
Formula:	C17 H16 Br N O4 S
SMILES:	OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2
InChi:	InChI=1S/C17H16BrNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,20,21)
Definition date:	2020-06-11
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid

QF8

QF8
Name:	~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
Formula:	C22 H26 N10 O
SMILES:	CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[CH]5CCNC5)c(C)n4)cc12
InChi:	InChI=1S/C22H26N10O/c1-13-17(26-15-6-8-24-11-15)12-32(29-13)19-7-9-25-22(28-19)27-14-4-5-18-16(10-14)20(21(33)23-2)30-31(18)3/h4-5,7,9-10,12,15,24,26H,6,8,11H2,1-3H3,(H,23,33)(H,25,27,28)/t15-/m1/s1
Definition date:	2020-06-15
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide

QFB

QFB
Name:	7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
Formula:	C22 H26 N10 O2
SMILES:	CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(N[CH]5CCOC[CH]5N)cn4)cc12
InChi:	InChI=1S/C22H26N10O2/c1-13-27-20(21(33)24-2)18-9-14(4-7-31(13)18)29-22-25-6-3-19(30-22)32-11-15(10-26-32)28-17-5-8-34-12-16(17)23/h3-4,6-7,9-11,16-17,28H,5,8,12,23H2,1-2H3,(H,24,33)(H,25,29,30)/t16-,17+/m0/s1
Definition date:	2020-06-15
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide

QFE

QFE
Name:	(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
Formula:	C23 H24 N8 O
SMILES:	Cn1ccc2c1cccc2c3[nH]c4nccc(n5cc(N[CH]6CCOC[CH]6N)cn5)c4n3
InChi:	InChI=1S/C23H24N8O/c1-30-9-6-15-16(3-2-4-19(15)30)22-28-21-20(5-8-25-23(21)29-22)31-12-14(11-26-31)27-18-7-10-32-13-17(18)24/h2-6,8-9,11-12,17-18,27H,7,10,13,24H2,1H3,(H,25,28,29)/t17-,18+/m0/s1
Definition date:	2020-06-15
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine

QFK

QFK
Name:	7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
Formula:	C20 H23 N9 O
SMILES:	CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(CN(C)C)cn4)cc12
InChi:	InChI=1S/C20H23N9O/c1-13-24-18(19(30)21-2)16-9-15(6-8-28(13)16)25-20-22-7-5-17(26-20)29-12-14(10-23-29)11-27(3)4/h5-10,12H,11H2,1-4H3,(H,21,30)(H,22,25,26)
Definition date:	2020-06-15
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide

QFQ

QFQ
Name:	~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
Formula:	C23 H28 N10 O
SMILES:	CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[CH]5CCCNC5)c(C)n4)cc12
InChi:	InChI=1S/C23H28N10O/c1-14-18(27-16-5-4-9-25-12-16)13-33(30-14)20-8-10-26-23(29-20)28-15-6-7-19-17(11-15)21(22(34)24-2)31-32(19)3/h6-8,10-11,13,16,25,27H,4-5,9,12H2,1-3H3,(H,24,34)(H,26,28,29)/t16-/m1/s1
Definition date:	2020-06-15
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide

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