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MWI

MWI
Name:	Lotrafiban
Formula:	C23 H32 N4 O4
SMILES:	O=C(c1ccc2NC(CC(=O)O)C(=O)N(C)Cc2c1)N1CCC(CC1)C1CCNCC1
InChi:	InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m0/s1
Synonyms:	[(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Definition date:	2022-03-21
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	[(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid

MWO

MWO
Name:	(4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid
Formula:	C15 H26 N4 O3
SMILES:	O=C(O)CN1CCN(CC1)CC1CC(=NO1)C1CCNCC1
InChi:	InChI=1S/C15H26N4O3/c20-15(21)11-19-7-5-18(6-8-19)10-13-9-14(17-22-13)12-1-3-16-4-2-12/h12-13,16H,1-11H2,(H,20,21)/t13-/m0/s1
Definition date:	2022-03-21
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	(4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid

MWX

MWX
Name:	Fradafiban
Formula:	C20 H21 N3 O4
SMILES:	N=C(N)c1ccc(cc1)c1ccc(cc1)OCC1CC(CC(=O)O)C(=O)N1
InChi:	InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1
Synonyms:	[(3S,5S)-5-{[(4'-carbamimidoyl[1,1'-biphenyl]-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid
Definition date:	2022-03-21
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	[(3S,5S)-5-{[(4'-carbamimidoyl[1,1'-biphenyl]-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid

MJX

MJX
Name:	{4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid
Formula:	C18 H27 N5 O2
SMILES:	N=C(N)c1ccc(cc1)N1CCN(CC1)C1CCN(CC(=O)O)CC1
InChi:	InChI=1S/C18H27N5O2/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25/h1-4,16H,5-13H2,(H3,19,20)(H,24,25)
Definition date:	2022-03-16
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	{4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid

M6K

M6K
Name:	(4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid
Formula:	C17 H23 N5 O3
SMILES:	O=C(O)CN1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N
InChi:	InChI=1S/C17H23N5O3/c18-17(19)13-3-1-12(2-4-13)15-9-14(25-20-15)10-21-5-7-22(8-6-21)11-16(23)24/h1-4,14H,5-11H2,(H3,18,19)(H,23,24)/t14-/m0/s1
Definition date:	2022-03-14
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	(4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid

GGU

GGU
Name:	2-(6-amino-5-phenylpyridazin-3-yl)phenol
Formula:	C16 H13 N3 O
SMILES:	Oc1ccccc1c1cc(c(N)nn1)c1ccccc1
InChi:	InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19)
Definition date:	2021-12-21
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	2-(6-amino-5-phenylpyridazin-3-yl)phenol

GJN

GJN
Name:	4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
Formula:	C16 H12 N4
SMILES:	Nc1nnc2c3ccccc3[NH]c2c1c1ccccc1
InChi:	InChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20)
Definition date:	2022-01-03
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	4-phenyl-5H-pyridazino[4,3-b]indol-3-amine

HOI

HOI
Name:	~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide
Formula:	C31 H29 N3 O5
SMILES:	COc1ccc(cc1COc2ccc(NC(C)=O)cc2)[CH]3Nc4cccc(O)c4C(=O)N3Cc5ccccc5
InChi:	InChI=1S/C31H29N3O5/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)/t30-/m0/s1
Definition date:	2022-05-26
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide

I1F

I1F
Name:	{5-[N-(4-carbamimidoylbenzoyl)-4-nitro-L-phenylalanyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-2-yl}acetic acid
Formula:	C25 H25 N7 O6
SMILES:	N=C(N)c1ccc(cc1)C(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1Cc2cn(nc2CC1)CC(=O)O
InChi:	InChI=1S/C25H25N7O6/c26-23(27)16-3-5-17(6-4-16)24(35)28-21(11-15-1-7-19(8-2-15)32(37)38)25(36)30-10-9-20-18(12-30)13-31(29-20)14-22(33)34/h1-8,13,21H,9-12,14H2,(H3,26,27)(H,28,35)(H,33,34)/t21-/m0/s1
Definition date:	2022-01-05
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	{5-[N-(4-carbamimidoylbenzoyl)-4-nitro-L-phenylalanyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-2-yl}acetic acid

I7R

I7R
Name:	(4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid
Formula:	C22 H32 N6 O3
SMILES:	O=C(O)CN1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N1CCN(C)CC1
InChi:	InChI=1S/C22H32N6O3/c1-25-6-12-28(13-7-25)22(23)18-4-2-17(3-5-18)20-14-19(31-24-20)15-26-8-10-27(11-9-26)16-21(29)30/h2-5,19,23H,6-16H2,1H3,(H,29,30)/b23-22+/t19-/m0/s1
Definition date:	2022-01-21
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	(4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid

IR7

IR7
Name:	(4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid
Formula:	C19 H25 N3 O5
SMILES:	O=C(O)COc1ccc(cc1)C(=O)CN1CCN(CC1=O)C1CCNCC1
InChi:	InChI=1S/C19H25N3O5/c23-17(14-1-3-16(4-2-14)27-13-19(25)26)11-22-10-9-21(12-18(22)24)15-5-7-20-8-6-15/h1-4,15,20H,5-13H2,(H,25,26)
Definition date:	2022-01-26
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	(4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid

3Q9

3Q9
Name:	3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Formula:	C33 H40 N4 O6
SMILES:	CCC1=C(C)C(=NC1=O)Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h34-35H,7-15H2,1-6H3,(H,38,39)(H,40,41)
Definition date:	2014-10-03
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

5FZ

5FZ
Name:	~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide
Formula:	C17 H18 N2 O5 S
SMILES:	CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccc(OC)cc3)cc12
InChi:	InChI=1S/C17H18N2O5S/c1-4-14-13-9-15(17(23-3)10-16(13)24-18-14)19-25(20,21)12-7-5-11(22-2)6-8-12/h5-10,19H,4H2,1-3H3
Definition date:	2021-08-17
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide

5I9

5I9
Name:	~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Formula:	C28 H20 F2 N4 O4
SMILES:	Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5Nc6ccccc6Oc45)c(F)c3)cc1
InChi:	InChI=1S/C28H20F2N4O4/c29-16-5-7-17(8-6-16)32-26(35)28(12-13-28)27(36)33-18-9-10-21(19(30)15-18)37-23-11-14-31-25-24(23)38-22-4-2-1-3-20(22)34-25/h1-11,14-15H,12-13H2,(H,31,34)(H,32,35)(H,33,36)
Definition date:	2021-08-18
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

5IE

5IE
Name:	~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Formula:	C27 H21 F2 N5 O3
SMILES:	Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc(Nc5ccccc5)n4)c(F)c3)cc1
InChi:	InChI=1S/C27H21F2N5O3/c28-17-6-8-19(9-7-17)31-24(35)27(13-14-27)25(36)32-20-10-11-22(21(29)16-20)37-23-12-15-30-26(34-23)33-18-4-2-1-3-5-18/h1-12,15-16H,13-14H2,(H,31,35)(H,32,36)(H,30,33,34)
Definition date:	2021-08-23
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

7OH

7OH
Name:	Fe-Tetra(4-pyridyl)porphyrin
Formula:	C40 H24 Fe N8
SMILES:	[Fe]1N2C3=C(c4ccncc4)C5=NC(=C(c6ccncc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccncc9)c%10ccncc%10)C=C5
InChi:	InChI=1S/C40H24N8.Fe/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25
Definition date:	2021-10-08
Last modified:	2022-08-12
Release date:	2022-08-17

W9V

W9V
Name:	(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol
Formula:	C21 H32 N6 O7
SMILES:	N(C1CC(C(C(C1O)O)O)(O)CO)CCCCCCNc2c([N+](=O)[O-])cc(cc2)n3nccn3
InChi:	InChI=1S/C21H32N6O7/c28-13-21(32)12-16(18(29)19(30)20(21)31)23-8-4-2-1-3-7-22-15-6-5-14(11-17(15)27(33)34)26-24-9-10-25-26/h5-6,9-11,16,18-20,22-23,28-32H,1-4,7-8,12-13H2/t16-,18-,19+,20-,21-/m0/s1
Definition date:	2020-10-04
Last modified:	2022-08-05
Release date:	2021-09-29
Identifier:	(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol

Y9P

Y9P
Name:	4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one
Formula:	C9 H13 Cl N4 O
SMILES:	CN1N=CC(=C(Cl)C1=O)N[CH]2CCNC2
InChi:	InChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m1/s1
Definition date:	2021-02-12
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one

OO9

OO9
Name:	oxidanyl dihydrogen phosphate
Formula:	H3 O5 P
SMILES:	OO[P](O)(O)=O
InChi:	InChI=1S/H3O5P/c1-5-6(2,3)4/h1H,(H2,2,3,4)
Definition date:	2022-05-12
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	oxidanyl dihydrogen phosphate

YBV

YBV
Name:	5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one
Formula:	C8 H11 Cl N4 O
SMILES:	CN1N=CC(=C(Cl)C1=O)NC2CNC2
InChi:	InChI=1S/C8H11ClN4O/c1-13-8(14)7(9)6(4-11-13)12-5-2-10-3-5/h4-5,10,12H,2-3H2,1H3
Definition date:	2021-02-17
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one

YC4

YC4
Name:	4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one
Formula:	C9 H13 Cl N4 O
SMILES:	CN1N=CC(=C(Cl)C1=O)N[CH]2CCNC2
InChi:	InChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m0/s1
Definition date:	2021-02-17
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one

JFL

JFL
Name:	2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
Formula:	C32 H32 F N3 O4
SMILES:	CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCC4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O
InChi:	InChI=1S/C32H32FN3O4/c1-17-11-21(33)12-18(2)28(17)39-26-10-9-20(32(3,4)38)13-22(26)24-16-36(5)31(37)23-14-27(40-29(23)24)25-15-34-30(35-25)19-7-6-8-19/h9-16,19,38H,6-8H2,1-5H3,(H,34,35)
Definition date:	2022-01-18
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one

JFR

JFR
Name:	2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
Formula:	C33 H34 F N3 O4
SMILES:	CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCCC4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O
InChi:	InChI=1S/C33H34FN3O4/c1-18-12-22(34)13-19(2)29(18)40-27-11-10-21(33(3,4)39)14-23(27)25-17-37(5)32(38)24-15-28(41-30(24)25)26-16-35-31(36-26)20-8-6-7-9-20/h10-17,20,39H,6-9H2,1-5H3,(H,35,36)
Definition date:	2022-01-18
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one

JFU

JFU
Name:	~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide
Formula:	C23 H23 F2 N5 O3 S
SMILES:	CCN1C(=O)c2cc(nc3c(N[S](=O)(=O)c4ccc(F)cc4F)ccc1c23)N5CCN(C)CC5
InChi:	InChI=1S/C23H23F2N5O3S/c1-3-30-18-6-5-17(27-34(32,33)19-7-4-14(24)12-16(19)25)22-21(18)15(23(30)31)13-20(26-22)29-10-8-28(2)9-11-29/h4-7,12-13,27H,3,8-11H2,1-2H3
Definition date:	2022-01-18
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide

JGF

JGF
Name:	~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
Formula:	C29 H26 F2 N4 O5 S
SMILES:	CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]c(nc5)C6CCC6
InChi:	InChI=1S/C29H26F2N4O5S/c1-3-41(37,38)34-18-8-10-24(39-25-9-7-17(30)11-22(25)31)19(12-18)21-15-35(2)29(36)20-13-26(40-27(20)21)23-14-32-28(33-23)16-5-4-6-16/h7-16,34H,3-6H2,1-2H3,(H,32,33)
Definition date:	2022-01-25
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide

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