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ZWP

ZWP
Name:	3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate
Formula:	C21 H21 N3 O
SMILES:	c1cccc4c1c(Cc2c[n+]3c(c(n2)[O-])CC=C3)c(C(C)(C)C=C)n4
InChi:	InChI=1S/C21H21N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-9,11,13,23H,1,10,12H2,2-3H3
Definition date:	2019-01-12
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate

YTW

YTW
Name:	(3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol
Formula:	C7 H13 N O7 S
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12
InChi:	InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4+,5+,6+,7+/m1/s1
Definition date:	2018-11-30
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol

L3J

L3J
Name:	(E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide
Formula:	C32 H46 N4 O5 S
SMILES:	C(C=NC(C(NCC2NC(=O)c1cc(cc(N(CCC)S(C)(=O)=O)c1)CCCCc3cccc(C2)c3)C(C)O)=O)(C)C
InChi:	InChI=1S/C32H46N4O5S/c1-6-14-36(42(5,40)41)29-18-26-11-8-7-10-24-12-9-13-25(15-24)17-28(35-31(38)27(16-26)19-29)21-33-30(23(4)37)32(39)34-20-22(2)3/h9,12-13,15-16,18-20,22-23,28,30,33,37H,6-8,10-11,14,17,21H2,1-5H3,(H,35,38)/b34-20+/t23-,28-,30+/m0/s1
Definition date:	2019-02-05
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide

L3M

L3M
Name:	(3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
Formula:	C34 H52 N4 O5 S
SMILES:	O=C3c1cc(cc(c1)CCCCc2cc(ccc2)CC(CNC(C(CCC)O)C(=O)NCC(C)C)N3)N(CCC)S(C)(=O)=O
InChi:	InChI=1S/C34H52N4O5S/c1-6-11-31(39)32(34(41)36-22-24(3)4)35-23-29-19-26-15-10-14-25(17-26)12-8-9-13-27-18-28(33(40)37-29)21-30(20-27)38(16-7-2)44(5,42)43/h10,14-15,17-18,20-21,24,29,31-32,35,39H,6-9,11-13,16,19,22-23H2,1-5H3,(H,36,41)(H,37,40)/t29-,31-,32-/m0/s1
Definition date:	2019-02-05
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide

ODJ

ODJ
Name:	N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
Formula:	C25 H22 N6 O3
SMILES:	c4cc5c(C(Nc3ccc(NC(c2c1ccc(cn1nc2)OC)=O)c(C)c3)=O)nn(C)c5cc4
InChi:	InChI=1S/C25H22N6O3/c1-15-12-16(27-25(33)23-18-6-4-5-7-21(18)30(2)29-23)8-10-20(15)28-24(32)19-13-26-31-14-17(34-3)9-11-22(19)31/h4-14H,1-3H3,(H,27,33)(H,28,32)
Definition date:	2019-06-21
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide

OOJ

OOJ
Name:	N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Formula:	C20 H15 F3 N6 O2 S2
SMILES:	C(F)(F)(c4cc(NC(Nc3nnc(SCC=2N=C1C=CC(C)=CN1C(=O)C=2)s3)=O)ccc4)F
InChi:	InChI=1S/C20H15F3N6O2S2/c1-11-5-6-15-24-14(8-16(30)29(15)9-11)10-32-19-28-27-18(33-19)26-17(31)25-13-4-2-3-12(7-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)
Definition date:	2019-07-02
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea

Q1D

Q1D
Name:	{4-[{(2R,3S)-3-[({[(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid
Formula:	C29 H39 B N2 O9 S
SMILES:	c1c(ccc(c1)B(O)O)S(N(CC(O)C(Cc2ccccc2)NC(OC5C3COC4C(C3)C5CO4)=O)CC(C)C)(=O)=O
InChi:	InChI=1S/C29H39BN2O9S/c1-18(2)14-32(42(37,38)22-10-8-21(9-11-22)30(35)36)15-26(33)25(12-19-6-4-3-5-7-19)31-29(34)41-27-20-13-23-24(27)17-40-28(23)39-16-20/h3-11,18,20,23-28,33,35-36H,12-17H2,1-2H3,(H,31,34)/t20-,23-,24-,25+,26-,27+,28+/m1/s1
Definition date:	2019-09-04
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	{4-[{(2R,3S)-3-[({[(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid

KAV

KAV
Name:	N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide
Formula:	C23 H19 F3 N6 O2
SMILES:	c1(ccc(cc1)C(F)(F)F)Nc5n(C)c4c(cc(Oc3cc(NC(C2CC2)=O)ncn3)cc4)n5
InChi:	InChI=1S/C23H19F3N6O2/c1-32-18-9-8-16(34-20-11-19(27-12-28-20)31-21(33)13-2-3-13)10-17(18)30-22(32)29-15-6-4-14(5-7-15)23(24,25)26/h4-13H,2-3H2,1H3,(H,29,30)(H,27,28,31,33)
Definition date:	2018-11-16
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide

KCZ

KCZ
Name:	4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol
Formula:	C17 H21 N O2
SMILES:	C[CH](CNCCc1ccc(O)c(O)c1)c2ccccc2
InChi:	InChI=1S/C17H21NO2/c1-13(15-5-3-2-4-6-15)12-18-10-9-14-7-8-16(19)17(20)11-14/h2-8,11,13,18-20H,9-10,12H2,1H3/t13-/m0/s1
Definition date:	2019-05-13
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol

JNN

JNN
Name:	5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide
Formula:	C13 H11 Cl2 N3 O4
SMILES:	ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1
InChi:	InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
Definition date:	2019-03-13
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide

L4J

L4J
Name:	N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
Formula:	C34 H52 N4 O4 S
SMILES:	c32cccc(CC(NC(=O)c1cc(cc(c1)CCCC2)N(CCC)S(=O)(C)=O)CNC(C(=O)NCC(C)C)CCCC)c3
InChi:	InChI=1S/C34H52N4O4S/c1-6-8-16-32(34(40)36-23-25(3)4)35-24-30-20-27-15-11-14-26(18-27)12-9-10-13-28-19-29(33(39)37-30)22-31(21-28)38(17-7-2)43(5,41)42/h11,14-15,18-19,21-22,25,30,32,35H,6-10,12-13,16-17,20,23-24H2,1-5H3,(H,36,40)(H,37,39)/t30-,32-/m0/s1
Definition date:	2019-02-06
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide

LCJ

LCJ
Name:	5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
Formula:	C16 H14 F I N4 O3
SMILES:	c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I
InChi:	InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
Definition date:	2019-02-19
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

M0B

M0B
Name:	2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine
Formula:	C21 H20 F3 N3 O2
SMILES:	CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4
InChi:	InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3
Definition date:	2019-10-01
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine

M5Y

M5Y
Name:	1-(2,4-difluorophenyl)methanamine
Formula:	C7 H7 F2 N
SMILES:	C(c1ccc(F)cc1F)N
InChi:	InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
Definition date:	2019-03-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	1-(2,4-difluorophenyl)methanamine

M64

M64
Name:	(2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid
Formula:	C10 H18 N2 O3
SMILES:	C1CCN(C(C)C1)C(CC(C(=O)O)N)=O
InChi:	InChI=1S/C10H18N2O3/c1-7-4-2-3-5-12(7)9(13)6-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8-/m0/s1
Definition date:	2019-03-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid

M6J

M6J
Name:	(2S)-2-amino-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoic acid
Formula:	C14 H18 N2 O3
SMILES:	C2C(c1ccccc1)N(C(CC(C(=O)O)N)=O)CC2
InChi:	InChI=1S/C14H18N2O3/c15-11(14(18)19)9-13(17)16-8-4-7-12(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12+/m0/s1
Definition date:	2019-03-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(2S)-2-amino-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoic acid

M6M

M6M
Name:	N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
Formula:	C25 H31 F2 N5 O5
SMILES:	c1c(onc1C(=O)NC(C(NC(C(NCc2ccc(F)cc2F)=O)C)=O)CC(N3C(C)CCCC3)=O)C
InChi:	InChI=1S/C25H31F2N5O5/c1-14-6-4-5-9-32(14)22(33)12-20(30-25(36)21-10-15(2)37-31-21)24(35)29-16(3)23(34)28-13-17-7-8-18(26)11-19(17)27/h7-8,10-11,14,16,20H,4-6,9,12-13H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)/t14-,16-,20-/m0/s1
Definition date:	2019-03-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)

M6Y

M6Y
Name:	N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
Formula:	C29 H31 F2 N5 O5
SMILES:	c1c(onc1C(=O)NC(C(NC(C(NCc2ccc(F)cc2F)=O)C)=O)CC(N4CCCC4c3ccccc3)=O)C
InChi:	InChI=1S/C29H31F2N5O5/c1-17-13-24(35-41-17)29(40)34-23(15-26(37)36-12-6-9-25(36)19-7-4-3-5-8-19)28(39)33-18(2)27(38)32-16-20-10-11-21(30)14-22(20)31/h3-5,7-8,10-11,13-14,18,23,25H,6,9,12,15-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,40)/t18-,23-,25+/m0/s1
Definition date:	2019-03-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)

M9D

M9D
Name:	(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine
Formula:	C11 H12 F N3
SMILES:	c2ccc(c1cnc(C(C)N)n1)c(c2)F
InChi:	InChI=1S/C11H12FN3/c1-7(13)11-14-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3,(H,14,15)/t7-/m0/s1
Definition date:	2019-03-27
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine

M9G

M9G
Name:	N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C30 H31 F N6 O4
SMILES:	c1c(onc1C(=O)NC(C(NC(C)c2nc(cn2)c3ccccc3F)=O)CC(N5CCCC5c4ccccc4)=O)C
InChi:	InChI=1S/C30H31FN6O4/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31/h3-7,9-12,15,17,19,23,26H,8,13-14,16H2,1-2H3,(H,32,34)(H,33,39)(H,35,40)/t19-,23-,26+/m0/s1
Definition date:	2019-03-27
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide

B4R

B4R
Name:	{4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid
Formula:	C28 H39 B N2 O9 S
SMILES:	O=S(=O)(N(CC(O)C(NC(OC1CCOC2C1CCO2)=O)Cc3ccccc3)CC(C)C)c4ccc(cc4)B(O)O
InChi:	InChI=1S/C28H39BN2O9S/c1-19(2)17-31(41(36,37)22-10-8-21(9-11-22)29(34)35)18-25(32)24(16-20-6-4-3-5-7-20)30-28(33)40-26-13-15-39-27-23(26)12-14-38-27/h3-11,19,23-27,32,34-35H,12-18H2,1-2H3,(H,30,33)/t23-,24-,25+,26-,27+/m0/s1
Definition date:	2019-09-04
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	{4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid

KA4

KA4
Name:	N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide
Formula:	C19 H12 Cl2 F2 N4 O3 S
SMILES:	Nc1ncc(cn1)C#Cc2c(ccc(c2F)NS(c3c(Cl)c(cc(c3)Cl)CO)(=O)=O)F
InChi:	InChI=1S/C19H12Cl2F2N4O3S/c20-12-5-11(9-28)17(21)16(6-12)31(29,30)27-15-4-3-14(22)13(18(15)23)2-1-10-7-25-19(24)26-8-10/h3-8,27-28H,9H2,(H2,24,25,26)
Definition date:	2018-11-16
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide

DZ6

DZ6
Name:	3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide
Formula:	C36 H37 N7 O
SMILES:	CC(C)c1cc(NC(=O)c2cccc(C#Cc3cnc4cnc(cn34)c5ccc(N)cc5)c2C)cc(c1)N6CCN(C)CC6
InChi:	InChI=1S/C36H37N7O/c1-24(2)28-18-30(20-32(19-28)42-16-14-41(4)15-17-42)40-36(44)33-7-5-6-26(25(33)3)10-13-31-21-39-35-22-38-34(23-43(31)35)27-8-11-29(37)12-9-27/h5-9,11-12,18-24H,14-17,37H2,1-4H3,(H,40,44)
Definition date:	2019-09-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide

DZC

DZC
Name:	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
Formula:	C28 H25 F3 N6 O
SMILES:	CN1CCN(CC1)c2cc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3C)cc(c2)C(F)(F)F
InChi:	InChI=1S/C28H25F3N6O/c1-19-20(6-7-23-17-33-26-18-32-8-9-37(23)26)4-3-5-25(19)27(38)34-22-14-21(28(29,30)31)15-24(16-22)36-12-10-35(2)11-13-36/h3-5,8-9,14-18H,10-13H2,1-2H3,(H,34,38)
Definition date:	2019-09-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

GJK

GJK
Name:	(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
Formula:	C11 H12 O3
SMILES:	COc1cc(C=CC(C)=O)ccc1O
InChi:	InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
Definition date:	2018-09-18
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one

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