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19D

19D
Name:	(1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
Formula:	C11 H16 F N O8
SMILES:	O=C(O)C12OC(C(O1)C(NC(=O)C)C(O)C2F)C(O)CO
InChi:	InChI=1S/C11H16FNO8/c1-3(15)13-5-6(17)9(12)11(10(18)19)20-7(4(16)2-14)8(5)21-11/h4-9,14,16-17H,2H2,1H3,(H,13,15)(H,18,19)/t4-,5-,6-,7-,8-,9-,11-/m1/s1
Definition date:	2012-11-08
Last modified:	2016-01-08
Release date:	2016-01-13
Identifier:	(1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred name)

OMR

OMR
Name:	[(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate
Formula:	C29 H49 N5 O15 P2
SMILES:	OC4OC(COP(=O)(O)OP(OCC3C(C(C(n2c1ncnc(N)c1nc2)O3)O)O)(=O)O)C(O)C4OC(=O)CCCCCCCCCCCCC
InChi:	InChI=1S/C29H49N5O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(35)48-25-23(37)19(47-29(25)39)15-45-51(42,43)49-50(40,41)44-14-18-22(36)24(38)28(46-18)34-17-33-21-26(30)31-16-32-27(21)34/h16-19,22-25,28-29,36-39H,2-15H2,1H3,(H,40,41)(H,42,43)(H2,30,31,32)/t18-,19-,22-,23-,24-,25-,28-,29+/m1/s1
Definition date:	2015-03-09
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	(2S,3R,4R,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,4-dihydroxytetrahydrofuran-3-yl tetradecanoate (non-preferred name)

51Y

51Y
Name:	2-chloro-4-{[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile
Formula:	C14 H17 Cl N2 O
SMILES:	c1c(c(C)c(c(c1)C#N)Cl)NC2CCCC2(O)C
InChi:	InChI=1S/C14H17ClN2O/c1-9-11(6-5-10(8-16)13(9)15)17-12-4-3-7-14(12,2)18/h5-6,12,17-18H,3-4,7H2,1-2H3/t12-,14-/m1/s1
Definition date:	2015-07-14
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	2-chloro-4-{[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile

3C8

3C8
Name:	6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
Formula:	C16 H19 N7
SMILES:	n1c(c(cn1)C)C4CN(c3nc2c(ncnc2N)cc3)CCC4
InChi:	InChI=1S/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)/t11-/m0/s1
Definition date:	2014-07-25
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

TG4

TG4
Name:	2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide
Formula:	C14 H23 N3 O3 S
SMILES:	CCCCNCC(=O)NCCc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C14H23N3O3S/c1-2-3-9-16-11-14(18)17-10-8-12-4-6-13(7-5-12)21(15,19)20/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)(H2,15,19,20)
Definition date:	2015-11-17
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide

TG5

TG5
Name:	2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide
Formula:	C12 H19 N3 O3 S
SMILES:	CCCCNCC(=O)Nc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C12H19N3O3S/c1-2-3-8-14-9-12(16)15-10-4-6-11(7-5-10)19(13,17)18/h4-7,14H,2-3,8-9H2,1H3,(H,15,16)(H2,13,17,18)
Definition date:	2015-11-17
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide

5R8

5R8
Name:	[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
Formula:	C14 H23 N3
SMILES:	CN1CCCN(CC1)Cc2ccc(CN)cc2
InChi:	InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3
Definition date:	2015-11-16
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine

5RA

5RA
Name:	5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile
Formula:	C27 H37 N5
SMILES:	CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(CN4CCCN(C)CC4)cc3C#N
InChi:	InChI=1S/C27H37N5/c1-29-11-3-13-31(17-15-29)21-23-5-8-25(9-6-23)27-10-7-24(19-26(27)20-28)22-32-14-4-12-30(2)16-18-32/h5-10,19H,3-4,11-18,21-22H2,1-2H3
Definition date:	2015-11-16
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile

5RD

5RD
Name:	4-(butylaminomethyl)benzenesulfonamide
Formula:	C11 H18 N2 O2 S
SMILES:	CCCCNCc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C11H18N2O2S/c1-2-3-8-13-9-10-4-6-11(7-5-10)16(12,14)15/h4-7,13H,2-3,8-9H2,1H3,(H2,12,14,15)
Definition date:	2015-11-17
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	4-(butylaminomethyl)benzenesulfonamide

X7G

X7G
Name:	1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol
Formula:	C20 H22 N8 O
SMILES:	n1c(nc(cc1)n2nc(c(c2)CN3CC(O)C3)C)Nc5cc4cnn(c4cc5)C
InChi:	InChI=1S/C20H22N8O/c1-13-15(9-27-11-17(29)12-27)10-28(25-13)19-5-6-21-20(24-19)23-16-3-4-18-14(7-16)8-22-26(18)2/h3-8,10,17,29H,9,11-12H2,1-2H3,(H,21,23,24)
Definition date:	2015-01-13
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol

X8G

X8G
Name:	1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol
Formula:	C20 H21 Cl N8 O
SMILES:	Clc5nn(c1c5cc(cc1)Nc2nccc(n2)n3nc(c(c3)CN4CC(O)C4)C)C
InChi:	InChI=1S/C20H21ClN8O/c1-12-13(8-28-10-15(30)11-28)9-29(25-12)18-5-6-22-20(24-18)23-14-3-4-17-16(7-14)19(21)26-27(17)2/h3-7,9,15,30H,8,10-11H2,1-2H3,(H,22,23,24)
Definition date:	2015-01-14
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol

X9G

X9G
Name:	1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol
Formula:	C22 H24 Cl N7 O
SMILES:	Clc2c1cc(ccc1n(c2C)C)Nc3nccc(n3)n4nc(c(c4)CN5CC(O)C5)C
InChi:	InChI=1S/C22H24ClN7O/c1-13-15(9-29-11-17(31)12-29)10-30(27-13)20-6-7-24-22(26-20)25-16-4-5-19-18(8-16)21(23)14(2)28(19)3/h4-8,10,17,31H,9,11-12H2,1-3H3,(H,24,25,26)
Definition date:	2015-01-14
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol

KNM

KNM
Name:	ADA-(AHX)3-(LEU)3-VINYL SULFONE
Formula:	C51 H92 N6 O8 S
SMILES:	CC(C)C[CH](CC[S](C)(=O)=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChi:	InChI=1S/C51H92N6O8S/c1-36(2)26-42(21-25-66(7,64)65)55-49(62)44(28-38(5)6)57-50(63)43(27-37(3)4)56-47(60)20-12-8-9-15-22-52-45(58)18-13-10-16-23-53-46(59)19-14-11-17-24-54-48(61)35-51-32-39-29-40(33-51)31-41(30-39)34-51/h36-44H,8-35H2,1-7H3,(H,52,58)(H,53,59)(H,54,61)(H,55,62)(H,56,60)(H,57,63)/t39?,40?,41?,42-,43+,44+,51?/m1/s1
Definition date:	2015-05-12
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	7-[6-[6-[2-(1-adamantyl)ethanoylamino]hexanoylamino]hexanoylamino]-N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-methylsulfonyl-hexan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]heptanamide

X3G

X3G
Name:	4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate
Formula:	C23 H28 F N5 O4 S
SMILES:	O=S(=O)(Oc1c(cc(cc1C)Nc2ncc(F)c(n2)n3cc(c(c3)C)CN4CCC(O)C4)C)C
InChi:	InChI=1S/C23H28FN5O4S/c1-14-7-18(8-15(2)21(14)33-34(4,31)32)26-23-25-9-20(24)22(27-23)29-10-16(3)17(12-29)11-28-6-5-19(30)13-28/h7-10,12,19,30H,5-6,11,13H2,1-4H3,(H,25,26,27)/t19-/m1/s1
Definition date:	2015-01-07
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate

X4G

X4G
Name:	(3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol
Formula:	C24 H30 F N5 O3
SMILES:	Fc3cnc(nc3n1cc(c(c1)C)CN2CCC(O)C2)Nc4cc(c(OCCO)c(c4)C)C
InChi:	InChI=1S/C24H30FN5O3/c1-15-8-19(9-16(2)22(15)33-7-6-31)27-24-26-10-21(25)23(28-24)30-11-17(3)18(13-30)12-29-5-4-20(32)14-29/h8-11,13,20,31-32H,4-7,12,14H2,1-3H3,(H,26,27,28)/t20-/m1/s1
Definition date:	2015-01-08
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	(3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol

X5G

X5G
Name:	1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol
Formula:	C27 H36 N6 O2
SMILES:	O(c4c(cc(Nc3nc(n1cc(c(c1)CN2CC(O)C2)C)ccn3)cc4C)C)CCN5CCCC5
InChi:	InChI=1S/C27H36N6O2/c1-19-12-23(13-20(2)26(19)35-11-10-31-8-4-5-9-31)29-27-28-7-6-25(30-27)33-14-21(3)22(16-33)15-32-17-24(34)18-32/h6-7,12-14,16,24,34H,4-5,8-11,15,17-18H2,1-3H3,(H,28,29,30)
Definition date:	2015-01-08
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol

X6G

X6G
Name:	1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol
Formula:	C20 H24 N6 O
SMILES:	n1c(nc(cc1)n2nc(c(c2)CN3CC(O)C3)C)Nc4cc(cc(c4)C)C
InChi:	InChI=1S/C20H24N6O/c1-13-6-14(2)8-17(7-13)22-20-21-5-4-19(23-20)26-10-16(15(3)24-26)9-25-11-18(27)12-25/h4-8,10,18,27H,9,11-12H2,1-3H3,(H,21,22,23)
Definition date:	2015-01-09
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol

0Z7

0Z7
Name:	N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Formula:	C27 H38 Cl N6 O4
SMILES:	C(C(C(NC(C(NC(C(NC(=O)C)Cc1ccccc1)=O)Cc2ccccc2)=O)CCCNC(=N)N)O)Cl
InChi:	InChI=1S/C27H37ClN6O4/c1-18(35)32-22(15-19-9-4-2-5-10-19)25(37)34-23(16-20-11-6-3-7-12-20)26(38)33-21(24(36)17-28)13-8-14-31-27(29)30/h2-7,9-12,21-24,36H,8,13-17H2,1H3,(H,32,35)(H,33,38)(H,34,37)(H4,29,30,31)/p+1/t21-,22+,23-,24+/m0/s1
Definition date:	2015-04-10
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide

O2T

O2T
Name:	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula:	C14 H20 N4 O11 P2 S
SMILES:	Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)([O-])=O)sc2C(O)(O)C(O)=O)c(N)n1
InChi:	InChI=1S/C14H20N4O11P2S/c1-7-10(3-4-28-31(26,27)29-30(23,24)25)32-12(14(21,22)13(19)20)18(7)6-9-5-16-8(2)17-11(9)15/h5,21-22H,3-4,6H2,1-2H3,(H5-,15,16,17,19,20,23,24,25,26,27)
Definition date:	2015-11-24
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate

4T8

4T8
Name:	5'-({[(2R,3R)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine
Formula:	C25 H44 N9 O12 P S2
SMILES:	OP(OCC(C(C(NCCC(NCCSC(CS(NCC3C(O)C(O)C(n2c1ncnc(c1nc2)N)O3)(=O)=O)C(N)CO)=O)=O)O)(C)C)O
InChi:	InChI=1S/C25H44N9O12PS2/c1-25(2,10-45-47(41)42)20(39)23(40)29-4-3-16(36)28-5-6-48-15(13(26)8-35)9-49(43,44)33-7-14-18(37)19(38)24(46-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,35,37-39,41-42H,3-10,26H2,1-2H3,(H,28,36)(H,29,40)(H2,27,30,31)/t13-,14-,15+,18-,19-,20+,24-/m1/s1
Definition date:	2015-05-21
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	5'-({[(2R,3R)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine

4ZK

4ZK
Name:	3,4-dichloro-5-(5-hydroxypyridin-3-yl)-L-phenylalanine
Formula:	C14 H12 Cl2 N2 O3
SMILES:	NC(C(O)=O)Cc1cc(Cl)c(Cl)c(c1)c2cncc(c2)O
InChi:	InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1
Definition date:	2015-07-02
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	3,4-dichloro-5-(5-hydroxypyridin-3-yl)-L-phenylalanine

5WP

5WP
Name:	Rifampin-phosphate
Formula:	C43 H69 N4 O14 P
SMILES:	CCOc1c(C)c(O)c2c(O)c3NC(=O)[CH](C)CC=C[CH](C)[CH](O[P](O)(O)=O)[CH](C)[CH](O)[CH](C)[CH](O[CH](C)O)[CH](C)[CH](OC)C=CO[CH](O)c1c2cc3CNN4CCN(C)CC4
InChi:	InChI=1S/C43H69N4O14P/c1-11-58-41-28(7)37(50)33-31-21-30(22-44-47-18-16-46(9)17-19-47)35(38(33)51)45-42(52)24(3)14-12-13-23(2)39(61-62(54,55)56)26(5)36(49)27(6)40(60-29(8)48)25(4)32(57-10)15-20-59-43(53)34(31)41/h12-13,15,20-21,23-27,29,32,36,39-40,43-44,48-51,53H,11,14,16-19,22H2,1-10H3,(H,45,52)(H2,54,55,56)/b13-12+,20-15+/t23-,24+,25-,26-,27+,29+,32+,36-,39+,40-,43-/m1/s1
Definition date:	2015-12-16
Last modified:	2015-12-24
Release date:	2015-12-29

5WQ

5WQ
Name:	Rifampin
Formula:	C43 H64 N4 O11
SMILES:	CCOc1c(C)c(O)c2c(O)c3NC(=O)[CH](C)CC=C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC)C=CO[CH](O)c1c2cc3CNN4CCN(C)CC4
InChi:	InChI=1S/C43H64N4O11/c1-11-56-41-28(7)38(51)33-31-21-30(22-44-47-18-16-46(9)17-19-47)35(39(33)52)45-42(53)24(3)14-12-13-23(2)36(49)26(5)37(50)27(6)40(58-29(8)48)25(4)32(55-10)15-20-57-43(54)34(31)41/h12-13,15,20-21,23-27,32,37,40,43-44,50-52,54H,11,14,16-19,22H2,1-10H3,(H,45,53)/b13-12+,20-15-/t23-,24+,25-,26+,27+,32-,37-,40-,43-/m1/s1
Definition date:	2015-12-16
Last modified:	2015-12-24
Release date:	2015-12-29

5XD

5XD
Name:	4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide
Formula:	C18 H21 N3 O4 S
SMILES:	CCc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2OC
InChi:	InChI=1S/C18H21N3O4S/c1-5-12-6-8-13(9-7-12)26(23,24)19-14-10-15-16(11-17(14)25-4)21(3)18(22)20(15)2/h6-11,19H,5H2,1-4H3
Definition date:	2015-12-20
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide

5XF

5XF
Name:	~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide
Formula:	C21 H24 N4 O3
SMILES:	COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCCC4
InChi:	InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
Definition date:	2015-12-20
Last modified:	2015-12-24
Release date:	2015-12-29
Identifier:	~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide

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