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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

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

JGL

JGL
Name:	~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
Formula:	C25 H20 F2 N4 O5 S
SMILES:	CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]cnc5
InChi:	InChI=1S/C25H20F2N4O5S/c1-3-37(33,34)30-15-5-7-21(35-22-6-4-14(26)8-19(22)27)16(9-15)18-12-31(2)25(32)17-10-23(36-24(17)18)20-11-28-13-29-20/h4-13,30H,3H2,1-2H3,(H,28,29)
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-(1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide

JGR

JGR
Name:	~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
Formula:	C34 H35 F N2 O7 S
SMILES:	CC[S](=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5cc(C)c(OCCO)c(C)c5
InChi:	InChI=1S/C34H35FN2O7S/c1-7-45(40,41)36-25-8-9-29(43-32-21(4)14-24(35)15-22(32)5)26(16-25)28-18-37(6)34(39)27-17-30(44-33(27)28)23-12-19(2)31(20(3)13-23)42-11-10-38/h8-9,12-18,36,38H,7,10-11H2,1-6H3
Definition date:	2022-01-26
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide

JGU

JGU
Name:	7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
Formula:	C33 H31 F2 N O6
SMILES:	CN1C=C(c2oc(cc2C1=O)c3cc(C)c(OCCO)c(C)c3)c4cc(ccc4Oc5ccc(F)cc5F)C(C)(C)O
InChi:	InChI=1S/C33H31F2NO6/c1-18-12-20(13-19(2)30(18)40-11-10-37)29-16-24-31(42-29)25(17-36(5)32(24)38)23-14-21(33(3,4)39)6-8-27(23)41-28-9-7-22(34)15-26(28)35/h6-9,12-17,37,39H,10-11H2,1-5H3
Definition date:	2022-01-26
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one

I2S

I2S
Name:	(7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one
Formula:	C24 H20 Cl N3 O3 S
SMILES:	Cc1ccc(cc1)S(=O)(=O)n1cc2CCNC3=CC(=NCc4ccc(Cl)cc4)C(=O)c1c32
InChi:	InChI=1S/C24H20ClN3O3S/c1-15-2-8-19(9-3-15)32(30,31)28-14-17-10-11-26-20-12-21(24(29)23(28)22(17)20)27-13-16-4-6-18(25)7-5-16/h2-9,12,14,26H,10-11,13H2,1H3/b27-21-
Definition date:	2022-01-07
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	(7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one

I61

I61
Name:	Inulanolide A
Formula:	C34 H44 O9
SMILES:	CC(=O)OC1C2C(C)=C3CC4C(=C)C(=O)OC4CC(C)C31CC12C(=O)OC2CC(C)=C(C(O)C21)C(C)CCCOC(C)=O
InChi:	InChI=1S/C34H44O9/c1-15(9-8-10-40-20(6)35)26-16(2)11-25-28(29(26)37)34(32(39)43-25)14-33-17(3)12-24-22(18(4)31(38)42-24)13-23(33)19(5)27(34)30(33)41-21(7)36/h15,17,22,24-25,27-30,37H,4,8-14H2,1-3,5-7H3/t15-,17-,22+,24-,25+,27-,28+,29+,30-,33-,34-/m1/s1
Definition date:	2022-01-13
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	(4R)-4-[(3R,3aR,3'aS,4R,6'S,7aS,8'aR,9'R,10'aR,11'R)-11'-(acetyloxy)-4-hydroxy-5',6,9'-trimethyl-3'-methylidene-2,2'-dioxo-2',3',3a,3'a,4,4',6',7,7a,9',10',10'a-dodecahydro-2H,8'H-spiro[[1]benzofuran-3,7'-[6,8a]methanobenzo[4,5]cyclohepta[1,2-b]furan]-5-yl]pentyl acetate

IQC

IQC
Name:	1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
Formula:	C32 H38 Cl F N8 O
SMILES:	CCC(=O)N1CC2(CCN(CC2)c3nc(NC4CCN(C)CC4)nc5c(F)c(c(Cl)cc35)c6c(C)ccc7[nH]ncc67)C1
InChi:	InChI=1S/C32H38ClFN8O/c1-4-25(43)42-17-32(18-42)9-13-41(14-10-32)30-21-15-23(33)27(26-19(2)5-6-24-22(26)16-35-39-24)28(34)29(21)37-31(38-30)36-20-7-11-40(3)12-8-20/h5-6,15-16,20H,4,7-14,17-18H2,1-3H3,(H,35,39)(H,36,37,38)
Definition date:	2022-07-11
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one

IQN

IQN
Name:	1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
Formula:	C33 H39 Cl F N7 O2
SMILES:	CCN1CCC(CC1)Oc2nc(N3CCC4(CC3)CN(C4)C(=O)CC)c5cc(Cl)c(c(F)c5n2)c6c(C)ccc7[nH]ncc67
InChi:	InChI=1S/C33H39ClFN7O2/c1-4-26(43)42-18-33(19-42)10-14-41(15-11-33)31-22-16-24(34)28(27-20(3)6-7-25-23(27)17-36-39-25)29(35)30(22)37-32(38-31)44-21-8-12-40(5-2)13-9-21/h6-7,16-17,21H,4-5,8-15,18-19H2,1-3H3,(H,36,39)
Definition date:	2022-07-11
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one

5E3

5E3
Name:	~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
Formula:	C17 H18 N2 O5 S
SMILES:	CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccccc3OC)cc12
InChi:	InChI=1S/C17H18N2O5S/c1-4-12-11-9-13(16(23-3)10-15(11)24-18-12)19-25(20,21)17-8-6-5-7-14(17)22-2/h5-10,19H,4H2,1-3H3
Definition date:	2021-08-17
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide

5IL

5IL
Name:	5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide
Formula:	C20 H20 N4 O4 S
SMILES:	N[S](=O)(=O)c1cccc2C(=O)C=C(Nc3ccccc3N4CCNCC4)C(=O)c12
InChi:	InChI=1S/C20H20N4O4S/c21-29(27,28)18-7-3-4-13-17(25)12-15(20(26)19(13)18)23-14-5-1-2-6-16(14)24-10-8-22-9-11-24/h1-7,12,22-23H,8-11H2,(H2,21,27,28)
Definition date:	2021-08-19
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide

6I2

6I2
Name:	{2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid
Formula:	C46 H43 N3 O6
SMILES:	O=C(O)Cc1c2cc(C)ccc2oc1C#Cc1cccc(c1)CNCCN1CCN(CC1)Cc1cccc(c1)C#Cc1oc2ccc(C)cc2c1CC(=O)O
InChi:	InChI=1S/C46H43N3O6/c1-31-9-13-41-37(23-31)39(27-45(50)51)43(54-41)15-11-33-5-3-7-35(25-33)29-47-17-18-48-19-21-49(22-20-48)30-36-8-4-6-34(26-36)12-16-44-40(28-46(52)53)38-24-32(2)10-14-42(38)55-44/h3-10,13-14,23-26,47H,17-22,27-30H2,1-2H3,(H,50,51)(H,52,53)
Definition date:	2021-08-05
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	{2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid

74I

74I
Name:	(Z)-2,3-bis(oxidanyl)prop-2-enoic acid
Formula:	C3 H4 O4
SMILES:	OC=C(O)C(O)=O
InChi:	InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1,4-5H,(H,6,7)/b2-1-
Synonyms:	2,3-dihydroxyacrylic acid
Definition date:	2021-08-04
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	(~{Z})-2,3-bis(oxidanyl)prop-2-enoic acid

76I

76I
Name:	(2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid
Formula:	C5 H11 N O4
SMILES:	CC(C)N(O)[CH](O)C(O)=O
InChi:	InChI=1S/C5H11NO4/c1-3(2)6(10)4(7)5(8)9/h3-4,7,10H,1-2H3,(H,8,9)/t4-/m0/s1
Synonyms:	2-hydroxy-2-(hydroxy(isopropyl)amino)acetate
Definition date:	2021-08-04
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	(2~{S})-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid

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