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UY5

UY5
Name:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:	C29 H43 N7 O
SMILES:	CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4
InChi:	InChI=1S/C29H43N7O/c1-22(2)32-25-17-26(31-21-30-25)35-15-11-29(12-16-35)20-36(19-27(37)33-29)24-7-5-23(6-8-24)18-34-13-9-28(3,4)10-14-34/h5-8,17,21-22H,9-16,18-20H2,1-4H3,(H,33,37)(H,30,31,32)
Definition date:	2021-03-26
Last modified:	2021-09-10
Release date:	2021-09-15
Identifier:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one

UYZ

UYZ
Name:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:	C28 H37 N7 O
SMILES:	CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5ncnc6[nH]ccc56)C3
InChi:	InChI=1S/C28H37N7O/c1-27(2)8-13-33(14-9-27)17-21-3-5-22(6-4-21)35-18-24(36)32-28(19-35)10-15-34(16-11-28)26-23-7-12-29-25(23)30-20-31-26/h3-7,12,20H,8-11,13-19H2,1-2H3,(H,32,36)(H,29,30,31)
Synonyms:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
Definition date:	2021-03-30
Last modified:	2021-09-10
Release date:	2021-09-15
Identifier:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one

UZ2

UZ2
Name:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:	C28 H41 N7 O
SMILES:	CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3C)c4ccc(CN5CCC(C)(C)CC5)cc4
InChi:	InChI=1S/C28H41N7O/c1-27(2)9-13-33(14-10-27)18-22-5-7-23(8-6-22)35-19-26(36)32(4)28(20-35)11-15-34(16-12-28)25-17-24(29-3)30-21-31-25/h5-8,17,21H,9-16,18-20H2,1-4H3,(H,29,30,31)
Definition date:	2021-03-30
Last modified:	2021-09-10
Release date:	2021-09-15
Identifier:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one

UZB

UZB
Name:	9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:	C28 H36 Cl N7 O
SMILES:	CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5nc(Cl)nc6[nH]ccc56)C3
InChi:	InChI=1S/C28H36ClN7O/c1-27(2)8-13-34(14-9-27)17-20-3-5-21(6-4-20)36-18-23(37)33-28(19-36)10-15-35(16-11-28)25-22-7-12-30-24(22)31-26(29)32-25/h3-7,12H,8-11,13-19H2,1-2H3,(H,33,37)(H,30,31,32)
Definition date:	2021-03-30
Last modified:	2021-09-10
Release date:	2021-09-15
Identifier:	9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one

UJK

UJK
Name:	1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid
Formula:	C10 H9 N3 O2
SMILES:	Cc1ccccc1n2cc(nn2)C(O)=O
InChi:	InChI=1S/C10H9N3O2/c1-7-4-2-3-5-9(7)13-6-8(10(14)15)11-12-13/h2-6H,1H3,(H,14,15)
Synonyms:	1-o-tolyl-1H-[1,2,3]triazole-4-carboxylic acid, 1-(2-methylphenyl)triazole-4-carboxylic acid, Z2327226104
Definition date:	2021-02-24
Last modified:	2021-09-08
Release date:	2021-04-07
Identifier:	1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid

NCF

NCF
Name:	(2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID
Formula:	C13 H14 N2 O5 S2
SMILES:	S1CCC(C(O)=O)=NC1C(C=O)NC(=O)Cc2cccs2
InChi:	InChI=1S/C13H14N2O5S2/c16-9(6-7-2-1-4-21-7)15-10(13(19)20)11-14-8(12(17)18)3-5-22-11/h1-2,4,10-11H,3,5-6H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1
Synonyms:	NITROCEFIN, open form without dinitrophenyl-ethenyl group
Definition date:	2004-10-01
Last modified:	2021-09-06
Identifier:	(2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

NEF

NEF
Name:	Nitrocefin - open form
Formula:	C21 H18 N4 O9 S2
SMILES:	OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O
InChi:	InChI=1S/C21H18N4O9S2/c26-16(9-14-2-1-7-35-14)22-18(21(29)30)19-23-17(20(27)28)12(10-36-19)4-3-11-5-6-13(24(31)32)8-15(11)25(33)34/h1-8,18-19,23H,9-10H2,(H,22,26)(H,27,28)(H,29,30)/b4-3+/t18-,19+/m0/s1
Synonyms:	(2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Definition date:	2018-09-26
Last modified:	2021-09-06
Release date:	2019-10-23
Identifier:	(2~{R})-5-[(~{E})-2-(2,4-dinitrophenyl)ethenyl]-2-[(1~{R})-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

YGY

YGY
Name:	Cryptophycin 52
Formula:	C36 H45 Cl N2 O8
SMILES:	COc1ccc(cc1Cl)CC1NC(=O)C=CCC(OC(=O)C(OC(=O)C(C)(C)CNC1=O)CC(C)C)C(C)C1OC1c1ccccc1
InChi:	InChI=1S/C36H45ClN2O8/c1-21(2)17-29-34(42)45-27(22(3)31-32(47-31)24-11-8-7-9-12-24)13-10-14-30(40)39-26(19-23-15-16-28(44-6)25(37)18-23)33(41)38-20-36(4,5)35(43)46-29/h7-12,14-16,18,21-22,26-27,29,31-32H,13,17,19-20H2,1-6H3,(H,38,41)(H,39,40)/b14-10-/t22-,26-,27-,29-,31+,32+/m0/s1
Synonyms:	(3S,10S,13Z,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Definition date:	2021-03-04
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(3S,10S,13Z,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

G56

G56
Name:	(2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid
Formula:	C18 H16 F3 N O5
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)COc2ccc(OC(F)(F)F)cc2
InChi:	InChI=1S/C18H16F3NO5/c19-18(20,21)27-14-8-6-13(7-9-14)26-11-16(23)22-15(17(24)25)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,22,23)(H,24,25)/t15-/m0/s1
Definition date:	2020-07-22
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(2~{S})-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid

YNP

YNP
Name:	Cryptophycin 1
Formula:	C35 H43 Cl N2 O8
SMILES:	COc1ccc(cc1Cl)CC1NC(=O)C=CCC(OC(=O)C(OC(=O)C(C)CNC1=O)CC(C)C)C(C)C1OC1c1ccccc1
InChi:	InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
Synonyms:	(3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Definition date:	2021-03-15
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

XTD

XTD
Name:	{2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone
Formula:	C19 H10 Cl F6 N O S
SMILES:	c3(C(c1c(csc1N)c2cc(C(F)(F)F)cc(c2)C(F)(F)F)=O)ccc(cc3)Cl
InChi:	InChI=1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2
Definition date:	2021-01-12
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	{2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone

L84

L84
Name:	(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
Formula:	C34 H37 F3 N2 O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCCCN2CCCCC2)cc1
InChi:	InChI=1S/C34H37F3N2O6S/c35-34(36,37)22-39(25-9-15-28(16-10-25)44-20-4-19-38-17-2-1-3-18-38)46(42,43)30-21-29-31(23-5-11-26(40)12-6-23)32(33(30)45-29)24-7-13-27(41)14-8-24/h5-16,29-30,33,40-41H,1-4,17-22H2/t29-,30+,33+/m0/s1
Definition date:	2019-02-11
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

J06

J06
Name:	[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,39S,43S)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate
Formula:	C60 H107 O4 P
SMILES:	CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](C)CCO[P](O)(O)=O
InChi:	InChI=1S/C60H107O4P/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-64-65(61,62)63/h31,33,35,37,39,41,43,45,49-51,60H,14-30,32,34,36,38,40,42,44,46-48H2,1-13H3,(H2,61,62,63)/b52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t50-,51-,60-/m0/s1
Definition date:	2021-03-09
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	[(3~{S},6~{Z},10~{Z},14~{Z},18~{Z},22~{Z},26~{Z},30~{Z},34~{Z},39~{S},43~{S})-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate

5ZF

5ZF
Name:	N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide
Formula:	C29 H26 Cl N3 O2
SMILES:	CC(NC(=O)C(N(C(=O)CCl)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1
InChi:	InChI=1S/C29H26ClN3O2/c1-21(22-9-4-2-5-10-22)32-29(35)28(25-13-8-18-31-20-25)33(27(34)19-30)26-16-14-24(15-17-26)23-11-6-3-7-12-23/h2-18,20-21,28H,19H2,1H3,(H,32,35)/t21-,28+/m0/s1
Definition date:	2021-07-29
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide

60I

60I
Name:	[4-[[3-(2,2-dimethylpropyl)-1~{H}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
Formula:	C24 H34 N6 O
SMILES:	O=C(c1c(C)n(C)nc1C)N1CCN(Cc2nc3ccccc3n2CC(C)(C)C)CC1
InChi:	InChI=1S/C24H34N6O/c1-17-22(18(2)27(6)26-17)23(31)29-13-11-28(12-14-29)15-21-25-19-9-7-8-10-20(19)30(21)16-24(3,4)5/h7-10H,11-16H2,1-6H3
Definition date:	2021-07-30
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(4-{[1-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]methyl}piperazin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone

GKX

GKX
Name:	(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid
Formula:	C20 H29 N O3
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCC2CCCCC2
InChi:	InChI=1S/C20H29NO3/c22-19(14-8-7-11-16-9-3-1-4-10-16)21-18(20(23)24)15-17-12-5-2-6-13-17/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H,21,22)(H,23,24)/t18-/m0/s1
Definition date:	2020-09-04
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid

JWX

JWX
Name:	(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine
Formula:	C22 H22 N2
SMILES:	CC(c1cccc2ccccc21)N(C)Cc1c[NH]c2ccccc21
InChi:	InChI=1S/C22H22N2/c1-16(19-12-7-9-17-8-3-4-10-20(17)19)24(2)15-18-14-23-22-13-6-5-11-21(18)22/h3-14,16,23H,15H2,1-2H3/t16-/m1/s1
Definition date:	2021-08-30
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine

0GW

0GW
Name:	5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:	C13 H12 N4 O2
SMILES:	CCOc1nc(cc2ccccc12)C=1NC(=O)NN=1
InChi:	InChI=1S/C13H12N4O2/c1-2-19-12-9-6-4-3-5-8(9)7-10(14-12)11-15-13(18)17-16-11/h3-7H,2H2,1H3,(H2,15,16,17,18)
Definition date:	2021-06-08
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

0MI

0MI
Name:	1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
Formula:	C10 H14 N5 O4
SMILES:	CC1=CN([CH]2C[CH](O)[CH](CN=[N]=N)O2)C(=O)NC1=O
InChi:	InChI=1S/C10H14N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,11,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1
Definition date:	2021-06-14
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

0OI

0OI
Name:	N-(2-fluorophenyl)-N'-methylurea
Formula:	C8 H9 F N2 O
SMILES:	O=C(Nc1ccccc1F)NC
InChi:	InChI=1S/C8H9FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)
Definition date:	2021-06-14
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	N-(2-fluorophenyl)-N'-methylurea

81H

81H
Name:	(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol
Formula:	C22 H14 F7 N5 O2
SMILES:	OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)c1ccc(OC(F)(F)F)cc1
InChi:	InChI=1S/C22H14F7N5O2/c23-15-4-7-17(18(24)9-15)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-5-16(6-2-13)36-22(27,28)29/h1-10,12,35H,11H2/t20-/m0/s1
Definition date:	2021-08-30
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol

7I0

7I0
Name:	(2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid
Formula:	C26 H20 Cl F N2 O2
SMILES:	O=C(O)/C=C/c1ccc(cc1)C(/c1cc2c[NH]nc2cc1)=C(/CC)c1ccc(F)cc1Cl
InChi:	InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
Definition date:	2021-08-11
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid

7I5

7I5
Name:	(2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid
Formula:	C29 H24 F3 N O7 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(/C=C/C(=O)O)cc1
InChi:	InChI=1S/C29H24F3NO7S/c30-29(31,32)16-33(20-8-1-17(2-9-20)3-14-25(36)37)41(38,39)24-15-23-26(18-4-10-21(34)11-5-18)27(28(24)40-23)19-6-12-22(35)13-7-19/h1-14,23-24,28,34-35H,15-16H2,(H,36,37)/b14-3+/t23-,24+,28+/m0/s1
Definition date:	2021-08-11
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(2E)-3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid

7I9

7I9
Name:	(1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
Formula:	C36 H41 F3 N2 O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCCCCN2CCCCC2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1
InChi:	InChI=1S/C36H41F3N2O6S/c1-45-29-17-11-27(12-18-29)41(24-36(37,38)39)48(43,44)32-23-31-33(25-7-13-28(42)14-8-25)34(35(32)47-31)26-9-15-30(16-10-26)46-22-6-5-21-40-19-3-2-4-20-40/h7-18,31-32,35,42H,2-6,19-24H2,1H3/t31-,32+,35+/m1/s1
Definition date:	2021-08-11
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[4-(piperidin-1-yl)butoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

77I

77I
Name:	(1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
Formula:	C35 H39 F3 N2 O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCCCN2CCCCC2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1
InChi:	InChI=1S/C35H39F3N2O6S/c1-44-28-16-10-26(11-17-28)40(23-35(36,37)38)47(42,43)31-22-30-32(24-6-12-27(41)13-7-24)33(34(31)46-30)25-8-14-29(15-9-25)45-21-5-20-39-18-3-2-4-19-39/h6-17,30-31,34,41H,2-5,18-23H2,1H3/t30-,31+,34+/m0/s1
Definition date:	2021-08-11
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(1S,2R,4S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

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