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K9O

K9O
Name:	4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
Formula:	C21 H20 Cl N5 O
SMILES:	Clc1cnn(CC(C)C)c1C(=O)Nc1ccc2nc([NH]c2c1)c1ccccc1
InChi:	InChI=1S/C21H20ClN5O/c1-13(2)12-27-19(16(22)11-23-27)21(28)24-15-8-9-17-18(10-15)26-20(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,24,28)(H,25,26)
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide

K9X

K9X
Name:	4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:	C18 H15 Br N6 O
SMILES:	Brc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C)nc1C
InChi:	InChI=1S/C18H15BrN6O/c1-11-15(19)16(24(2)23-11)17(26)21-14-8-9-25-10-13(20-18(25)22-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,22,26)
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide

KA6

KA6
Name:	1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:	C20 H24 N8 O3
SMILES:	O=C(c1cnn(C)c1C(=O)Nc1cc2nc(nn2cc1)N1CCCC1)N1CCOCC1
InChi:	InChI=1S/C20H24N8O3/c1-25-17(15(13-21-25)19(30)26-8-10-31-11-9-26)18(29)22-14-4-7-28-16(12-14)23-20(24-28)27-5-2-3-6-27/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,22,29)
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide

KAU

KAU
Name:	N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
Formula:	C19 H19 Cl N6 O
SMILES:	O=C(NC1CCN(C1)c1ccc(Cl)cn1)c1nn(C)cc1c1ccncc1
InChi:	InChI=1S/C19H19ClN6O/c1-25-12-16(13-4-7-21-8-5-13)18(24-25)19(27)23-15-6-9-26(11-15)17-3-2-14(20)10-22-17/h2-5,7-8,10,12,15H,6,9,11H2,1H3,(H,23,27)/t15-/m1/s1
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide

KB6

KB6
Name:	3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline
Formula:	C21 H17 F N2 O2
SMILES:	Fc1ccc(cc1)c1nc(CCOc2cc3ccccc3cn2)c(C)o1
InChi:	InChI=1S/C21H17FN2O2/c1-14-19(24-21(26-14)15-6-8-18(22)9-7-15)10-11-25-20-12-16-4-2-3-5-17(16)13-23-20/h2-9,12-13H,10-11H2,1H3
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline

KBL

KBL
Name:	6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
Formula:	C21 H15 F3 N4 O2
SMILES:	FC(F)(F)Oc1cc(ccc1)N1N=C(C(=O)C=C1C)c1ccnn1c1ccccc1
InChi:	InChI=1S/C21H15F3N4O2/c1-14-12-19(29)20(18-10-11-25-28(18)15-6-3-2-4-7-15)26-27(14)16-8-5-9-17(13-16)30-21(22,23)24/h2-13H,1H3
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one

KC9

KC9
Name:	4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
Formula:	C22 H19 N5 O3
SMILES:	O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cccc(c1)c1nc2ccccc2o1
InChi:	InChI=1S/C22H19N5O3/c1-26-19(16(13-23-26)22(29)27-10-5-11-27)20(28)24-15-7-4-6-14(12-15)21-25-17-8-2-3-9-18(17)30-21/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,24,28)
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide

KCU

KCU
Name:	4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide
Formula:	C20 H18 Cl N5 O
SMILES:	Clc1cnn(CCC)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1ccccc1
InChi:	InChI=1S/C20H18ClN5O/c1-2-10-26-18(15(21)12-22-26)20(27)23-14-8-9-16-17(11-14)25-19(24-16)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,23,27)(H,24,25)
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide

KD4

KD4
Name:	2-chloro-5-methoxy-3-methylquinoxaline
Formula:	C10 H9 Cl N2 O
SMILES:	COc1cccc2nc(Cl)c(C)nc12
InChi:	InChI=1S/C10H9ClN2O/c1-6-10(11)13-7-4-3-5-8(14-2)9(7)12-6/h3-5H,1-2H3
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	2-chloro-5-methoxy-3-methylquinoxaline

KDC

KDC
Name:	7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole
Formula:	C17 H16 N4 O S2
SMILES:	CCOc1cc(ncc1C)CSc1nc2ccc3ncsc3c2[NH]1
InChi:	InChI=1S/C17H16N4OS2/c1-3-22-14-6-11(18-7-10(14)2)8-23-17-20-12-4-5-13-16(15(12)21-17)24-9-19-13/h4-7,9H,3,8H2,1-2H3,(H,20,21)
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole

LT0

LT0
Name:	D-tryptophyl-L-serine
Formula:	C14 H17 N3 O4
SMILES:	N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C(O)=O
InChi:	InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)/t10-,12+/m1/s1
Synonyms:	(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid
Definition date:	2022-07-12
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid

LVL

LVL
Name:	2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile
Formula:	C11 H7 F3 N2
SMILES:	FC(F)(F)c1ccc2[nH]cc(CC#N)c2c1
InChi:	InChI=1S/C11H7F3N2/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3H2
Definition date:	2022-07-14
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	2-[5-(trifluoromethyl)-1~{H}-indol-3-yl]ethanenitrile

9UH

9UH
Name:	(2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
Formula:	C20 H24 N10 O13 P2
SMILES:	Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13+,18-,19-/m1/s1
Definition date:	2021-10-27
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	(2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione

LW3

LW3
Name:	2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile
Formula:	C9 H5 Br Cl N3
SMILES:	Clc1cc2[nH]nc(CC#N)c2cc1Br
InChi:	InChI=1S/C9H5BrClN3/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:	2022-10-07
Release date:	2022-10-12
Identifier:	2-(5-bromanyl-6-chloranyl-1~{H}-indazol-3-yl)ethanenitrile

7R8

7R8
Name:	6-oxidanylnaphthalene-2-carboximidamide
Formula:	C11 H10 N2 O
SMILES:	NC(=N)c1ccc2cc(O)ccc2c1
InChi:	InChI=1S/C11H10N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h1-6,14H,(H3,12,13)
Definition date:	2021-10-14
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	6-oxidanylnaphthalene-2-carboximidamide

NVR

NVR
Name:	(1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione
Formula:	C23 H21 N3 O5
SMILES:	O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1=C(O)C(=O)N2
InChi:	InChI=1S/C23H21N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h1-8,13-14,27H,9-12H2,(H,24,28)(H,25,26,29)/b2-1-
Synonyms:	SJ001034732-1 (Cis-form)
Definition date:	2022-04-11
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	(1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione

B9I

B9I
Name:	(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid
Formula:	C26 H20 O11
SMILES:	O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc3c(Oc4cc(O)ccc4[C]35OC(=O)c6ccccc56)c2
InChi:	InChI=1S/C26H20O11/c27-11-5-7-15-17(9-11)35-18-10-12(34-25-21(30)19(28)20(29)22(36-25)23(31)32)6-8-16(18)26(15)14-4-2-1-3-13(14)24(33)37-26/h1-10,19-22,25,27-30H,(H,31,32)/t19-,20-,21+,22-,25+,26+/m0/s1
Definition date:	2021-12-07
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid

R3R

R3R
Name:	9-propanoyl-9H-carbazole-3-carbaldehyde, bound form
Formula:	C16 H13 N O2
SMILES:	CCC(=O)n1c2ccccc2c2cc(C=O)ccc21
InChi:	InChI=1S/C16H13NO2/c1-2-16(19)17-14-6-4-3-5-12(14)13-9-11(10-18)7-8-15(13)17/h3-10H,2H2,1H3
Definition date:	2022-06-16
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	9-propanoyl-9H-carbazole-3-carbaldehyde

R4F

R4F
Name:	1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form
Formula:	C13 H13 N O2
SMILES:	CC(C)C(=O)n1cc(C=O)c2ccccc21
InChi:	InChI=1S/C13H13NO2/c1-9(2)13(16)14-7-10(8-15)11-5-3-4-6-12(11)14/h3-9H,1-2H3
Definition date:	2022-06-16
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde

R4R

R4R
Name:	4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form
Formula:	C24 H27 N3 O2
SMILES:	CN1CCN(CC1)c1ccc(cc1)c1cccc2n(cc(C=O)c21)C(=O)C(C)C
InChi:	InChI=1S/C24H27N3O2/c1-17(2)24(29)27-15-19(16-28)23-21(5-4-6-22(23)27)18-7-9-20(10-8-18)26-13-11-25(3)12-14-26/h4-10,15-17H,11-14H2,1-3H3
Definition date:	2022-06-16
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde

R50

R50
Name:	2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form
Formula:	C22 H25 N3 O
SMILES:	CC(C)C(=O)n1cc(C)c2c1cncc2c1ccc2CN(C)CCc2c1
InChi:	InChI=1S/C22H25N3O/c1-14(2)22(26)25-12-15(3)21-19(10-23-11-20(21)25)17-5-6-18-13-24(4)8-7-16(18)9-17/h5-6,9-12,14H,7-8,13H2,1-4H3
Definition date:	2022-06-16
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]propan-1-one

98L

98L
Name:	3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol
Formula:	C19 H14 Cl N3 O S
SMILES:	Oc1cccc(c1)CNc1nc(Cl)nc2scc(c12)c1ccccc1
InChi:	InChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-5-4-8-14(24)9-12)16-15(11-25-18(16)23-19)13-6-2-1-3-7-13/h1-9,11,24H,10H2,(H,21,22,23)
Definition date:	2021-10-05
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol

EIK

EIK
Name:	5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
Formula:	C19 H20 N6
SMILES:	Cn1cc(nc1CCc2nn3c(C)cnc(C)c3n2)c4ccccc4
InChi:	InChI=1S/C19H20N6/c1-13-11-20-14(2)19-22-17(23-25(13)19)9-10-18-21-16(12-24(18)3)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3
Definition date:	2022-01-06
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

D9J

D9J
Name:	(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol
Formula:	C24 H19 Cl2 F5 N6 O4
SMILES:	Cc1nn(c(n1)[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(Cl)c(F)c4)c5cc(Cl)ccc5C(F)(F)F
InChi:	InChI=1S/C24H19Cl2F5N6O4/c1-9-32-23(37(34-9)16-6-11(25)2-3-12(16)24(29,30)31)22-21(40)19(20(39)17(8-38)41-22)36-7-15(33-35-36)10-4-13(27)18(26)14(28)5-10/h2-7,17,19-22,38-40H,8H2,1H3/t17-,19+,20+,21-,22-/m1/s1
Definition date:	2022-04-12
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol

AQX

AQX
Name:	N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Formula:	C19 H13 Br F N5 O2 S
SMILES:	Brc1ccc(cc1)NC(=O)CSC1=Nc2c(cnn2c2ccc(F)cc2)C(=O)N1
InChi:	InChI=1S/C19H13BrFN5O2S/c20-11-1-5-13(6-2-11)23-16(27)10-29-19-24-17-15(18(28)25-19)9-22-26(17)14-7-3-12(21)4-8-14/h1-9H,10H2,(H,23,27)(H,24,25,28)
Definition date:	2021-11-09
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

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