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QRU

QRU
Name:	(1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C21 H21 N3 O5
SMILES:	O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:	InChI=1S/C21H21N3O5/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)24-19(26)11-4-6-12(7-5-11)22-21(29)23-13-8-9-13/h1-7,13,16,18,25H,8-10H2,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid

RKI

RKI
Name:	(3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid
Formula:	C16 H13 N3 O3 S
SMILES:	O=C(O)Cc1cccc(c1)CNC(=O)c1ncnc2ccsc12
InChi:	InChI=1S/C16H13N3O3S/c20-13(21)7-10-2-1-3-11(6-10)8-17-16(22)14-15-12(4-5-23-15)18-9-19-14/h1-6,9H,7-8H2,(H,17,22)(H,20,21)
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid

QS6

QS6
Name:	(1R,3S)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
Formula:	C11 H14 N4 O
SMILES:	OC1CCC(C1)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C11H14N4O/c16-8-2-1-7(5-8)15-11-9-3-4-12-10(9)13-6-14-11/h3-4,6-8,16H,1-2,5H2,(H2,12,13,14,15)/t7-,8+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1R,3S)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol

RKU

RKU
Name:	(3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid
Formula:	C17 H13 Br F N3 O3
SMILES:	Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1cc(F)cc2[NH]cnc12
InChi:	InChI=1S/C17H13BrFN3O3/c18-10-3-1-9(2-4-10)13(7-15(23)24)22-17(25)12-5-11(19)6-14-16(12)21-8-20-14/h1-6,8,13H,7H2,(H,20,21)(H,22,25)(H,23,24)/t13-/m0/s1
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid

RL5

RL5
Name:	1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid
Formula:	C12 H15 N5 O3 S
SMILES:	CCNc1ncc(s1)C(=O)NCCn1cc(nc1)C(=O)O
InChi:	InChI=1S/C12H15N5O3S/c1-2-13-12-15-5-9(21-12)10(18)14-3-4-17-6-8(11(19)20)16-7-17/h5-7H,2-4H2,1H3,(H,13,15)(H,14,18)(H,19,20)
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid

RL9

RL9
Name:	4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid
Formula:	C17 H13 F N2 O3
SMILES:	O=C(O)c1cc(CNC(=O)c2cc3cc[NH]c3cc2)c(F)cc1
InChi:	InChI=1S/C17H13FN2O3/c18-14-3-1-12(17(22)23)8-13(14)9-20-16(21)11-2-4-15-10(7-11)5-6-19-15/h1-8,19H,9H2,(H,20,21)(H,22,23)
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid

QT0

QT0
Name:	5-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one
Formula:	C17 H15 F N6 O2
SMILES:	O=C1NN=C(O1)C1CN(CCC1)c1ncnc2[NH]c3cc(F)ccc3c21
InChi:	InChI=1S/C17H15FN6O2/c18-10-3-4-11-12(6-10)21-14-13(11)15(20-8-19-14)24-5-1-2-9(7-24)16-22-23-17(25)26-16/h3-4,6,8-9H,1-2,5,7H2,(H,23,25)(H,19,20,21)/t9-/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	5-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one

RLN

RLN
Name:	(4-{[(thieno[3,2-b]pyridine-7-carbonyl)amino]methyl}phenyl)acetic acid
Formula:	C17 H14 N2 O3 S
SMILES:	O=C(O)Cc1ccc(cc1)CNC(=O)c1ccnc2ccsc12
InChi:	InChI=1S/C17H14N2O3S/c20-15(21)9-11-1-3-12(4-2-11)10-19-17(22)13-5-7-18-14-6-8-23-16(13)14/h1-8H,9-10H2,(H,19,22)(H,20,21)
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(4-{[(thieno[3,2-b]pyridine-7-carbonyl)amino]methyl}phenyl)acetic acid

QT6

QT6
Name:	3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]propanoic acid
Formula:	C18 H19 F N4 O2
SMILES:	O=C(O)CCC1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C18H19FN4O2/c19-12-4-5-13-14(8-12)22-17-16(13)18(21-10-20-17)23-7-1-2-11(9-23)3-6-15(24)25/h4-5,8,10-11H,1-3,6-7,9H2,(H,24,25)(H,20,21,22)/t11-/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]propanoic acid

RLU

RLU
Name:	(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:	C16 H13 Br N4 O3
SMILES:	Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C16H13BrN4O3/c17-10-3-1-9(2-4-10)12(7-13(22)23)21-16(24)14-11-5-6-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m1/s1
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid

QTF

QTF
Name:	(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:	C18 H16 F2 N4 O2
SMILES:	O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C18H16F2N4O2/c19-10-2-3-11-12(6-10)23-14-13(11)15(22-9-21-14)24-7-17(4-1-5-17)18(20,8-24)16(25)26/h2-3,6,9H,1,4-5,7-8H2,(H,25,26)(H,21,22,23)/t18-/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid

RM6

RM6
Name:	[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
Formula:	C15 H16 N2 O3 S
SMILES:	O=C(O)CC1CC(C1)CNC(=O)c1cc2ccsc2cn1
InChi:	InChI=1S/C15H16N2O3S/c18-14(19)5-9-3-10(4-9)7-17-15(20)12-6-11-1-2-21-13(11)8-16-12/h1-2,6,8-10H,3-5,7H2,(H,17,20)(H,18,19)/t9-,10-
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid

QTO

QTO
Name:	(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:	C18 H19 F N4 O2
SMILES:	O=C(O)C1(F)CN(CC21CCC2)c1cc(Nc2ccccc2)ncn1
InChi:	InChI=1S/C18H19FN4O2/c19-18(16(24)25)11-23(10-17(18)7-4-8-17)15-9-14(20-12-21-15)22-13-5-2-1-3-6-13/h1-3,5-6,9,12H,4,7-8,10-11H2,(H,24,25)(H,20,21,22)/t18-/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid

R8K

R8K
Name:	(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)-6-azaspiro[3.4]octane-8-carboxamide
Formula:	C19 H19 F2 N5 O3 S
SMILES:	CS(=O)(=O)NC(=O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C19H19F2N5O3S/c1-30(28,29)25-17(27)19(21)9-26(8-18(19)5-2-6-18)16-14-12-4-3-11(20)7-13(12)24-15(14)22-10-23-16/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,25,27)(H,22,23,24)/t19-/m0/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)-6-azaspiro[3.4]octane-8-carboxamide

R8R

R8R
Name:	(5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid
Formula:	C19 H19 F N4 O2
SMILES:	O=C(O)C1CN(CCC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c21
InChi:	InChI=1S/C19H19FN4O2/c20-11-2-3-12-14(8-11)23-16-15(12)17(22-10-21-16)24-7-6-19(4-1-5-19)13(9-24)18(25)26/h2-3,8,10,13H,1,4-7,9H2,(H,25,26)(H,21,22,23)/t13-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid

QU3

QU3
Name:	4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide
Formula:	C13 H15 N5 O4 S
SMILES:	O=C(c1coc(c1)S(=O)(=O)NC)N1Cc2cnc(N)nc2CC1
InChi:	InChI=1S/C13H15N5O4S/c1-15-23(20,21)11-4-8(7-22-11)12(19)18-3-2-10-9(6-18)5-16-13(14)17-10/h4-5,7,15H,2-3,6H2,1H3,(H2,14,16,17)
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide

RMU

RMU
Name:	4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide
Formula:	C12 H9 Cl N4 O4 S
SMILES:	O=S(=O)(Nc1cc(C#N)c(Cl)nc1)c1cc(oc1C)C(N)=O
InChi:	InChI=1S/C12H9ClN4O4S/c1-6-10(3-9(21-6)12(15)18)22(19,20)17-8-2-7(4-14)11(13)16-5-8/h2-3,5,17H,1H3,(H2,15,18)
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide

R8Z

R8Z
Name:	(3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione
Formula:	C16 H17 F N4 O2 S
SMILES:	O=S1(=O)CCCC(C1)N(C)c1ncnc2[NH]c3cc(F)ccc3c21
InChi:	InChI=1S/C16H17FN4O2S/c1-21(11-3-2-6-24(22,23)8-11)16-14-12-5-4-10(17)7-13(12)20-15(14)18-9-19-16/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19,20)/t11-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione

QUC

QUC
Name:	(2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic acid
Formula:	C14 H16 Cl N3 O4 S
SMILES:	O=S(=O)(c1c[NH]c2ncc(Cl)cc21)N1CCCC(C(=O)O)C1C
InChi:	InChI=1S/C14H16ClN3O4S/c1-8-10(14(19)20)3-2-4-18(8)23(21,22)12-7-17-13-11(12)5-9(15)6-16-13/h5-8,10H,2-4H2,1H3,(H,16,17)(H,19,20)/t8-,10+/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic acid

R98

R98
Name:	7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-9H-pyrimido[4,5-b]indol-4-amine
Formula:	C17 H14 F N5
SMILES:	Fc1ccc2c(c1)[NH]c1ncnc(c21)N(C)Cc1ccccn1
InChi:	InChI=1S/C17H14FN5/c1-23(9-12-4-2-3-7-19-12)17-15-13-6-5-11(18)8-14(13)22-16(15)20-10-21-17/h2-8,10H,9H2,1H3,(H,20,21,22)
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-9H-pyrimido[4,5-b]indol-4-amine

RNC

RNC
Name:	[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone
Formula:	C11 H12 N6 O3
SMILES:	CNc1ncc(nc1)C(=O)N1CC(C1)c1nc(O)on1
InChi:	InChI=1S/C11H12N6O3/c1-12-8-3-13-7(2-14-8)10(18)17-4-6(5-17)9-15-11(19)20-16-9/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16,19)
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone

QUR

QUR
Name:	(3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid
Formula:	C14 H14 N2 O5
SMILES:	O=C(O)C1CN(CC1C)C(=O)c1cccc2NC(=O)Oc12
InChi:	InChI=1S/C14H14N2O5/c1-7-5-16(6-9(7)13(18)19)12(17)8-3-2-4-10-11(8)21-14(20)15-10/h2-4,7,9H,5-6H2,1H3,(H,15,20)(H,18,19)/t7-,9-/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid

RNL

RNL
Name:	(1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid
Formula:	C13 H15 N5 O4
SMILES:	O=C(O)C1CC1C(=O)NCCc1nnc2n1C=CN(C)C2=O
InChi:	InChI=1S/C13H15N5O4/c1-17-4-5-18-9(15-16-10(18)12(17)20)2-3-14-11(19)7-6-8(7)13(21)22/h4-5,7-8H,2-3,6H2,1H3,(H,14,19)(H,21,22)/t7-,8+/m0/s1
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid

QV1

QV1
Name:	(3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid
Formula:	C14 H14 N2 O5
SMILES:	O=C(O)C1CN(CC1C)C(=O)c1cccc2NC(=O)Oc12
InChi:	InChI=1S/C14H14N2O5/c1-7-5-16(6-9(7)13(18)19)12(17)8-3-2-4-10-11(8)21-14(20)15-10/h2-4,7,9H,5-6H2,1H3,(H,15,20)(H,18,19)/t7-,9-/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid

R9U

R9U
Name:	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide
Formula:	C16 H16 F N5 O4 S
SMILES:	CS(=O)(=O)NC(=O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C16H16FN5O4S/c1-27(24,25)21-16(23)12-7-22(4-5-26-12)15-13-10-3-2-9(17)6-11(10)20-14(13)18-8-19-15/h2-3,6,8,12H,4-5,7H2,1H3,(H,21,23)(H,18,19,20)/t12-/m1/s1
Definition date:	2022-06-22
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide

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