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WJ3

WJ3
Name:	2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
Formula:	C9 H4 Cl2 F6 O2
SMILES:	Clc1cc(cc(Cl)c1O)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C9H4Cl2F6O2/c10-4-1-3(2-5(11)6(4)18)7(19,8(12,13)14)9(15,16)17/h1-2,18-19H
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol

WJ8

WJ8
Name:	(8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C12 H9 Cl N4 O
SMILES:	O=C1C=C(Nc2nc(nn12)c1ccccc1)CCl
InChi:	InChI=1S/C12H9ClN4O/c13-7-9-6-10(18)17-12(14-9)15-11(16-17)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

WJH

WJH
Name:	4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid
Formula:	C20 H21 N3 O5 S
SMILES:	O=C(O)C=1COCCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1
InChi:	InChI=1S/C20H21N3O5S/c24-17(11-7-8-27-9-13(11)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid

VM8

VM8
Name:	5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline
Formula:	C21 H20 N2
SMILES:	CC(C)(Cc1ccccc1)c2cc3ccccc3c4nccn24
InChi:	InChI=1S/C21H20N2/c1-21(2,15-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-22-12-13-23(19)20/h3-14H,15H2,1-2H3
Definition date:	2023-03-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline

WJQ

WJQ
Name:	(5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione
Formula:	C12 H10 Br N O4 S
SMILES:	Brc1cccc(c1)C1OCC2(CO1)SC(=O)NC2=O
InChi:	InChI=1S/C12H10BrNO4S/c13-8-3-1-2-7(4-8)9-17-5-12(6-18-9)10(15)14-11(16)19-12/h1-4,9H,5-6H2,(H,14,15,16)/t9-,12+
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione

WJU

WJU
Name:	(5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one
Formula:	C22 H19 Cl N4 O2
SMILES:	O=C1NN=C(O1)c1c(nc2ccc(Cl)cc2c1c1ccccc1)N1CCCCC1
InChi:	InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one

YHZ

YHZ
Name:	1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol
Formula:	C11 H21 N4 O12 P3
SMILES:	O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC1OC(CNc2cncnc2N)C(O)C1O
InChi:	InChI=1S/C11H21N4O12P3/c12-11-6(1-13-4-15-11)14-2-7-9(16)10(17)8(26-7)3-25-30(23,24)27-29(21,22)5-28(18,19)20/h1,4,7-10,14,16-17H,2-3,5H2,(H,21,22)(H,23,24)(H2,12,13,15)(H2,18,19,20)/t7-,8+,9-,10+/m0/s1
Definition date:	2023-02-03
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol

WK0

WK0
Name:	(4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
Formula:	C18 H18 Br N O2
SMILES:	O=C(O)C1CCN(C)c2ccc(Br)cc2C1c1ccccc1
InChi:	InChI=1S/C18H18BrNO2/c1-20-10-9-14(18(21)22)17(12-5-3-2-4-6-12)15-11-13(19)7-8-16(15)20/h2-8,11,14,17H,9-10H2,1H3,(H,21,22)/t14-,17+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid

US0

US0
Name:	4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide
Formula:	C16 H17 F2 N5 O2
SMILES:	Fc1cc(F)cc(c1)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3
InChi:	InChI=1S/C16H17F2N5O2/c17-10-5-9(6-11(18)7-10)15(24)22-13-8-20-23-14(13)16(25)21-12-1-3-19-4-2-12/h5-8,12,19H,1-4H2,(H,20,23)(H,21,25)(H,22,24)
Definition date:	2023-02-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide

VMN

VMN
Name:	1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one
Formula:	C12 H10 Cl N O2
SMILES:	Clc1ccc(cc1)CN1C=CC(O)=CC1=O
InChi:	InChI=1S/C12H10ClNO2/c13-10-3-1-9(2-4-10)8-14-6-5-11(15)7-12(14)16/h1-7,15H,8H2
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one

VMR

VMR
Name:	(4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine
Formula:	C16 H15 Cl N2 O
SMILES:	Clc1ccc(Oc2cccc(c2)[CH]3CNC(=N)C3)cc1
InChi:	InChI=1S/C16H15ClN2O/c17-13-4-6-14(7-5-13)20-15-3-1-2-11(8-15)12-9-16(18)19-10-12/h1-8,12H,9-10H2,(H2,18,19)/t12-/m0/s1
Definition date:	2023-03-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine

WK9

WK9
Name:	(1R,2S)-2-{[(2M)-4'-(methoxycarbonyl)-4,5-dihydro-2'H,3H-[2,3'-bi-1lambda~4~-thiophen]-5'-yl]carbamoyl}cyclohexane-1-carboxylic acid
Formula:	C18 H25 N O5 S2
SMILES:	O=C(O)C1CCCCC1C(=O)NC1=SCC(C2=SCCC2)=C1C(=O)OC
InChi:	InChI=1S/C18H25NO5S2/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h10-11,25-26H,2-9H2,1H3,(H,19,20)(H,21,22)/t10-,11+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2S)-2-{[(2M)-4'-(methoxycarbonyl)-4,5-dihydro-2'H,3H-[2,3'-bi-1lambda~4~-thiophen]-5'-yl]carbamoyl}cyclohexane-1-carboxylic acid

WKI

WKI
Name:	[(1M)-4'-chloro-2'-phenoxy[1,1'-biphenyl]-3-yl]acetic acid
Formula:	C20 H15 Cl O3
SMILES:	Clc1cc(Oc2ccccc2)c(cc1)c1cc(CC(=O)O)ccc1
InChi:	InChI=1S/C20H15ClO3/c21-16-9-10-18(15-6-4-5-14(11-15)12-20(22)23)19(13-16)24-17-7-2-1-3-8-17/h1-11,13H,12H2,(H,22,23)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[(1M)-4'-chloro-2'-phenoxy[1,1'-biphenyl]-3-yl]acetic acid

VN5

VN5
Name:	~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine
Formula:	C25 H32 N6 O
SMILES:	COc1ccc(cc1)C2(CC2)c3nc(NCCN)c4ccc(cc4n3)N5CCN(C)CC5
InChi:	InChI=1S/C25H32N6O/c1-30-13-15-31(16-14-30)19-5-8-21-22(17-19)28-24(29-23(21)27-12-11-26)25(9-10-25)18-3-6-20(32-2)7-4-18/h3-8,17H,9-16,26H2,1-2H3,(H,27,28,29)
Definition date:	2023-03-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine

WKR

WKR
Name:	4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione
Formula:	C13 H15 N3 S2
SMILES:	CC(C)(C)SC1=NC(=S)N=C(N1)c1ccccc1
InChi:	InChI=1S/C13H15N3S2/c1-13(2,3)18-12-15-10(14-11(17)16-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione

WKW

WKW
Name:	2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid
Formula:	C19 H21 N3 O4 S
SMILES:	O=C(Nc1sc(C)c(C)c1c1nc(no1)C1CC1)C=1CCCCC=1C(=O)O
InChi:	InChI=1S/C19H21N3O4S/c1-9-10(2)27-18(14(9)17-20-15(22-26-17)11-7-8-11)21-16(23)12-5-3-4-6-13(12)19(24)25/h11H,3-8H2,1-2H3,(H,21,23)(H,24,25)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid

WL0

WL0
Name:	3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid
Formula:	C11 H12 N2 O3 S4
SMILES:	S=C1SC(=NN1c1ccccc1)SCCCS(=O)(=O)O
InChi:	InChI=1S/C11H12N2O3S4/c14-20(15,16)8-4-7-18-10-12-13(11(17)19-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid

WL6

WL6
Name:	4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
Formula:	C12 H11 Cl N2 O3
SMILES:	O=C(O)CCCc1nc(no1)c1ccc(Cl)cc1
InChi:	InChI=1S/C12H11ClN2O3/c13-9-6-4-8(5-7-9)12-14-10(18-15-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

WLB

WLB
Name:	2,3-bis(benzyloxy)benzoic acid
Formula:	C21 H18 O4
SMILES:	O=C(O)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChi:	InChI=1S/C21H18O4/c22-21(23)18-12-7-13-19(24-14-16-8-3-1-4-9-16)20(18)25-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2,3-bis(benzyloxy)benzoic acid

WLF

WLF
Name:	1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid
Formula:	C14 H14 Cl F3 N2 O3
SMILES:	O=C(NC1(CCCC1)C(=O)O)Nc1ccc(Cl)cc1C(F)(F)F
InChi:	InChI=1S/C14H14ClF3N2O3/c15-8-3-4-10(9(7-8)14(16,17)18)19-12(23)20-13(11(21)22)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,21,22)(H2,19,20,23)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid

WLN

WLN
Name:	5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one
Formula:	C16 H18 Cl N3 O3
SMILES:	Clc1cccc(c1)CC=1C(=NC(=O)N(C)C=1O)N1CCOCC1
InChi:	InChI=1S/C16H18ClN3O3/c1-19-15(21)13(10-11-3-2-4-12(17)9-11)14(18-16(19)22)20-5-7-23-8-6-20/h2-4,9,21H,5-8,10H2,1H3
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one

WLR

WLR
Name:	(1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid
Formula:	C15 H17 F3 O3
SMILES:	FC(F)(F)c1cc(OCC2CCCCC2C(=O)O)ccc1
InChi:	InChI=1S/C15H17F3O3/c16-15(17,18)11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)14(19)20/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,19,20)/t10-,13-/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid

WMB

WMB
Name:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid
Formula:	C20 H21 N3 O5 S
SMILES:	O=C(O)C=1CCOCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1
InChi:	InChI=1S/C20H21N3O5S/c24-17(13-9-27-8-7-11(13)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid

SGO

SGO
Name:	(3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid
Formula:	C22 H25 N O3
SMILES:	Cc1ccc(cc1)[CH](CC(O)=O)NC(=O)Cc2ccc3CCCCc3c2
InChi:	InChI=1S/C22H25NO3/c1-15-6-9-18(10-7-15)20(14-22(25)26)23-21(24)13-16-8-11-17-4-2-3-5-19(17)12-16/h6-12,20H,2-5,13-14H2,1H3,(H,23,24)(H,25,26)/t20-/m0/s1
Definition date:	2023-04-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3~{S})-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid

SIU

SIU
Name:	(2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid
Formula:	C23 H27 N O3
SMILES:	C[CH]([CH](NC(=O)Cc1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O
InChi:	InChI=1S/C23H27NO3/c1-15-7-10-19(11-8-15)22(16(2)23(26)27)24-21(25)14-17-9-12-18-5-3-4-6-20(18)13-17/h7-13,16,22H,3-6,14H2,1-2H3,(H,24,25)(H,26,27)/t16-,22+/m1/s1
Definition date:	2023-04-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{S})-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid

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