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P6X

P6X
Name:	3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
Formula:	C10 H7 Cl2 N3 O S
SMILES:	Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1
InChi:	InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(3-8(7)12)5-17-10-14-9(16)4-13-15-10/h1-4H,5H2,(H,14,15,16)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol

VI0

VI0
Name:	(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine
Formula:	C18 H16 N4
SMILES:	Nc1nc2NC(c3ccccc3Cc2cn1)c1ccccc1
InChi:	InChI=1S/C18H16N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11,16H,10H2,(H3,19,20,21,22)/t16-/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine

VI9

VI9
Name:	2-({(3P)-4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}carbamoyl)cyclopent-1-ene-1-carboxylic acid
Formula:	C18 H16 F3 N3 O4 S
SMILES:	O=C(Nc1sc(C)c(c1c1nc(no1)C(F)(F)F)C1CC1)C=1CCCC=1C(=O)O
InChi:	InChI=1S/C18H16F3N3O4S/c1-7-11(8-5-6-8)12(14-23-17(24-28-14)18(19,20)21)15(29-7)22-13(25)9-3-2-4-10(9)16(26)27/h8H,2-6H2,1H3,(H,22,25)(H,26,27)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-({(3P)-4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}carbamoyl)cyclopent-1-ene-1-carboxylic acid

VIY

VIY
Name:	(1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid
Formula:	C20 H20 Cl N O4
SMILES:	Clc1cccc(c1)C(=O)NC1CC(Oc2ccccc2)CCC1C(=O)O
InChi:	InChI=1S/C20H20ClNO4/c21-14-6-4-5-13(11-14)19(23)22-18-12-16(9-10-17(18)20(24)25)26-15-7-2-1-3-8-15/h1-8,11,16-18H,9-10,12H2,(H,22,23)(H,24,25)/t16-,17-,18+/m1/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid

VJ3

VJ3
Name:	1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
Formula:	C18 H18 N2 O3
SMILES:	OC(=O)C1CCCN1C(=O)Nc1ccccc1c1ccccc1
InChi:	InChI=1S/C18H18N2O3/c21-17(22)16-11-6-12-20(16)18(23)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,21,22)/t16-/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline

DVU

DVU
Name:	~{N}-[[4-[6-[[1-[[2-chloranyl-4-(furan-2-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]methyl]methanamide
Formula:	C31 H31 Cl N6 O4
SMILES:	Cn1nc2C(=O)N(CC3(O)CCN(CC3)Cc4ccc(cc4Cl)c5occc5)C=Nc2c1c6ccc(CNC=O)cc6
InChi:	InChI=1S/C31H31ClN6O4/c1-36-29(22-6-4-21(5-7-22)16-33-20-39)27-28(35-36)30(40)38(19-34-27)18-31(41)10-12-37(13-11-31)17-24-9-8-23(15-25(24)32)26-3-2-14-42-26/h2-9,14-15,19-20,41H,10-13,16-18H2,1H3,(H,33,39)
Definition date:	2022-04-16
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	~{N}-[[4-[6-[[1-[[2-chloranyl-4-(furan-2-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]methyl]methanamide

VLQ

VLQ
Name:	6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid
Formula:	C19 H16 Cl N O2
SMILES:	O=C(O)c1c(c2cc(Cl)ccc2nc1C(C)C)c1ccccc1
InChi:	InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid

VM3

VM3
Name:	5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline
Formula:	C20 H15 Cl N2
SMILES:	Clc1ccc(cc1)C2(CC2)c3cc4ccccc4c5nccn35
InChi:	InChI=1S/C20H15ClN2/c21-16-7-5-15(6-8-16)20(9-10-20)18-13-14-3-1-2-4-17(14)19-22-11-12-23(18)19/h1-8,11-13H,9-10H2
Definition date:	2023-03-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline

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

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

VMZ

VMZ
Name:	1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone
Formula:	C27 H33 Cl N6 O
SMILES:	CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCC4)c5ccc(Cl)cc5
InChi:	InChI=1S/C27H33ClN6O/c1-19(35)33-14-16-34(17-15-33)22-8-9-23-24(18-22)31-26(32-25(23)30-13-12-29)27(10-2-3-11-27)20-4-6-21(28)7-5-20/h4-9,18H,2-3,10-17,29H2,1H3,(H,30,31,32)
Definition date:	2023-03-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone

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

VS5

VS5
Name:	(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
Formula:	C20 H21 F N6 O
SMILES:	Fc1ccc(cc1)c1c2COCCc2nc(c1c1nnn[NH]1)N1CCCCC1
InChi:	InChI=1S/C20H21FN6O/c21-14-6-4-13(5-7-14)17-15-12-28-11-8-16(15)22-20(27-9-2-1-3-10-27)18(17)19-23-25-26-24-19/h4-7H,1-3,8-12H2,(H,23,24,25,26)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine

E8Y

E8Y
Name:	4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
Formula:	C16 H12 F3 N3
SMILES:	FC(F)(F)c1cc(ccc1)Nc1cccc2CN(Cc21)C#N
InChi:	InChI=1S/C16H12F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h1-7,21H,8-9H2
Definition date:	2021-12-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile

VVL

VVL
Name:	6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione
Formula:	C10 H9 N3 S2
SMILES:	S=C1NC(=S)C(Cc2ccccc2)=NN1
InChi:	InChI=1S/C10H9N3S2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione

VVU

VVU
Name:	dirhodium (II) tetraacetate
Formula:	C8 H16 O8 Rh2
SMILES:	C[CH]1O[Rh++]234O[CH](C)O[Rh++]2(O1)(O[CH](C)O3)O[CH](C)O4
InChi:	InChI=1S/4C2H4O2.2Rh/c4*1-2(3)4
Synonyms:	Rhodium(II) acetate
Definition date:	2023-04-12
Last modified:	2023-06-09
Release date:	2023-06-14

VW5

VW5
Name:	dirhodium (II) oxide
Formula:	H8 O8 Rh2
SMILES:	O[Rh++](O)(O)(O)[Rh++](O)(O)(O)O
InChi:	InChI=1S/8H2O.2Rh/h8*1H2
Definition date:	2023-04-12
Last modified:	2023-06-09
Release date:	2023-06-14

ED0

ED0
Name:	4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
Formula:	C16 H12 F3 N3
SMILES:	FC(F)(F)c1ccccc1Nc1cccc2CN(Cc21)C#N
InChi:	InChI=1S/C16H12F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-7,21H,8-9H2
Definition date:	2021-12-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile

S4I

S4I
Name:	(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,4-dione
Formula:	C11 H10 Cl N O3
SMILES:	Clc1ccc(CN2CC(=O)C(O)C2=O)cc1
InChi:	InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)5-13-6-9(14)10(15)11(13)16/h1-4,10,15H,5-6H2/t10-/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,4-dione

S8X

S8X
Name:	5-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-thiol
Formula:	C15 H16 N4 S
SMILES:	Cc1ccc(C)n1n1c(nnc1S)Cc1ccccc1
InChi:	InChI=1S/C15H16N4S/c1-11-8-9-12(2)18(11)19-14(16-17-15(19)20)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,20)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-thiol

T6I

T6I
Name:	(2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
Formula:	C23 H26 F N O3
SMILES:	C[CH]([CH](NC(=O)[CH](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O
InChi:	InChI=1S/C23H26FNO3/c1-14-7-9-17(10-8-14)21(15(2)23(27)28)25-22(26)20(24)19-12-11-16-5-3-4-6-18(16)13-19/h7-13,15,20-21H,3-6H2,1-2H3,(H,25,26)(H,27,28)/t15-,20+,21+/m1/s1
Definition date:	2023-04-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid

T85

T85
Name:	2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C16 H11 I N2 O
SMILES:	Ic1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11IN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
Definition date:	2022-12-22
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

TB3

TB3
Name:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid
Formula:	C10 H7 Br Cl N O3
SMILES:	Brc1cc(Cl)c(NC(=O)C=C/C(=O)O)cc1
InChi:	InChI=1S/C10H7BrClNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid

W7U

W7U
Name:	(5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol
Formula:	C11 H13 Cl N2 O S
SMILES:	CN1N=C(CSc2ccc(Cl)cc2)CC1O
InChi:	InChI=1S/C11H13ClN2OS/c1-14-11(15)6-9(13-14)7-16-10-4-2-8(12)3-5-10/h2-5,11,15H,6-7H2,1H3
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol

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