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V74

V74
Name:	3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid
Formula:	C30 H23 N O6
SMILES:	c1cc(cc(c1)Oc2ccc(C(O)=O)cc2)COCc5cc(c4c3c(cccc3)nc4C(O)=O)ccc5
InChi:	InChI=1S/C30H23NO6/c32-29(33)21-11-13-23(14-12-21)37-24-8-4-6-20(16-24)18-36-17-19-5-3-7-22(15-19)27-25-9-1-2-10-26(25)31-28(27)30(34)35/h1-16,31H,17-18H2,(H,32,33)(H,34,35)
Definition date:	2020-07-09
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid

G0O

G0O
Name:	(S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
Formula:	C11 H13 N5 O S
SMILES:	C[CH](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2
InChi:	InChI=1S/C11H13N5OS/c1-7(6-18)11(17)12-9-4-2-3-8(5-9)10-13-15-16-14-10/h2-5,7,18H,6H2,1H3,(H,12,17)(H,13,14,15,16)/t7-/m1/s1
Definition date:	2020-07-14
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	(2~{S})-2-methyl-3-sulfanyl-~{N}-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]propanamide

G0X

G0X
Name:	3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one
Formula:	C19 H14 Cl4 N2 O3
SMILES:	OC1=C(C(=O)CCC1)C(=O)c2nc(Cl)c(Cl)c(NCc3ccc(Cl)cc3)c2Cl
InChi:	InChI=1S/C19H14Cl4N2O3/c20-10-6-4-9(5-7-10)8-24-16-14(21)17(25-19(23)15(16)22)18(28)13-11(26)2-1-3-12(13)27/h4-7,26H,1-3,8H2,(H,24,25)
Definition date:	2020-07-15
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one

H3X

H3X
Name:	methyl (3'~{a}~{R},4'~{S},5'~{S},5~{a}~{S},6~{S},7~{S},9~{a}~{R})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate
Formula:	C26 H38 O6
SMILES:	COC(=O)[CH]1[CH](C)[C]2(C)C[C]3(OC2=C(C)C1=O)[CH](C)CC[CH]4C(C)(C)OC(=O)CC[C]34C
InChi:	InChI=1S/C26H38O6/c1-14-9-10-17-23(4,5)31-18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)32-26/h14,16-17,19H,9-13H2,1-8H3/t14-,16-,17-,19-,24+,25-,26-/m0/s1
Definition date:	2020-11-02
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	methyl (3'~{a}~{R},4'~{S},5'~{S},5~{a}~{S},6~{S},7~{S},9~{a}~{R})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate

HJL

HJL
Name:	[(2~{R},3~{S},4~{S})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Formula:	C9 H18 N5 O8 P
SMILES:	NC1=NC(=O)C(=C(NC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)N1)N
InChi:	InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1
Definition date:	2021-01-14
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	[(2~{R},3~{S},4~{S})-5-[[2,5-bis(azanyl)-4-oxidanylidene-1~{H}-pyrimidin-6-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

PEH

PEH
Name:	DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE
Formula:	C41 H82 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
Definition date:	2002-07-11
Last modified:	2021-07-08
Identifier:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctadecanoate

ON2

ON2
Name:	N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide
Formula:	C16 H15 Cl2 N5 O2 S
SMILES:	Cc1[nH]c(C(=O)Nc2sc3cc(NC(=O)CCN)ccc3n2)c(Cl)c1Cl
InChi:	InChI=1S/C16H15Cl2N5O2S/c1-7-12(17)13(18)14(20-7)15(25)23-16-22-9-3-2-8(6-10(9)26-16)21-11(24)4-5-19/h2-3,6,20H,4-5,19H2,1H3,(H,21,24)(H,22,23,25)
Definition date:	2020-03-20
Last modified:	2021-07-07
Release date:	2020-12-30
Identifier:	~{N}-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrole-2-carboxamide

PV5

PV5
Name:	5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
Formula:	C21 H16 F N7 O
SMILES:	Cc1ncccc1c2cnc(NCc3c(F)cc(C#N)c4OCCc34)n5cnnc25
InChi:	InChI=1S/C21H16FN7O/c1-12-14(3-2-5-24-12)17-10-26-21(29-11-27-28-20(17)29)25-9-16-15-4-6-30-19(15)13(8-23)7-18(16)22/h2-3,5,7,10-11H,4,6,9H2,1H3,(H,25,26)
Definition date:	2020-04-28
Last modified:	2021-07-07
Release date:	2021-05-12
Identifier:	5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile

L9T

L9T
Name:	N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
Formula:	C16 H16 N4 O2 S
SMILES:	Cn1ccc(n1)c2sc(NCc3cccc4OCOc34)nc2C
InChi:	InChI=1S/C16H16N4O2S/c1-10-15(12-6-7-20(2)19-12)23-16(18-10)17-8-11-4-3-5-13-14(11)22-9-21-13/h3-7H,8-9H2,1-2H3,(H,17,18)
Definition date:	2019-08-01
Last modified:	2021-07-07
Release date:	2019-09-25
Identifier:	~{N}-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine

L9W

L9W
Name:	N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Formula:	C21 H19 N5 O3 S
SMILES:	C[S](=O)(=O)c1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25
InChi:	InChI=1S/C21H19N5O3S/c1-30(27,28)16-7-5-14(6-8-16)18-12-23-21(26-13-24-25-20(18)26)22-11-15-3-2-4-19-17(15)9-10-29-19/h2-8,12-13H,9-11H2,1H3,(H,22,23)
Definition date:	2019-08-01
Last modified:	2021-07-07
Release date:	2019-09-25
Identifier:	~{N}-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

U0N

U0N
Name:	4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C18 H23 N9
SMILES:	C[CH]1CCCN1c2n(C)c3nc(Nc4cn(C)nc4C)nc(N)c3c2C#N
InChi:	InChI=1S/C18H23N9/c1-10-6-5-7-27(10)17-12(8-19)14-15(20)22-18(23-16(14)26(17)4)21-13-9-25(3)24-11(13)2/h9-10H,5-7H2,1-4H3,(H3,20,21,22,23)/t10-/m1/s1
Synonyms:	4-azanyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Definition date:	2021-01-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	4-azanyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

U0Q

U0Q
Name:	4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C17 H21 N9
SMILES:	C[CH]1CCCN1c2n(C)c3nc(Nc4cnn(C)c4)nc(N)c3c2C#N
InChi:	InChI=1S/C17H21N9/c1-10-5-4-6-26(10)16-12(7-18)13-14(19)22-17(23-15(13)25(16)3)21-11-8-20-24(2)9-11/h8-10H,4-6H2,1-3H3,(H3,19,21,22,23)/t10-/m1/s1
Synonyms:	4-azanyl-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Definition date:	2021-01-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	4-azanyl-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

U0T

U0T
Name:	4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C21 H27 N9 O
SMILES:	C[CH]1CCCN1c2n(C)c3nc(Nc4cnn([CH]5CCOC5)c4C)nc(N)c3c2C#N
InChi:	InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14+/m1/s1
Synonyms:	4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{S})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Definition date:	2021-01-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{S})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

V8Z

V8Z
Name:	(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene
Formula:	C15 H24
SMILES:	CC1=CCC(C)(C)C=CCC(=CCC1)C
InChi:	InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
Synonyms:	(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Definition date:	2021-04-30
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(1~{E},8~{E})-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

YUS

YUS
Name:	N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
Formula:	C21 H20 N2 O3
SMILES:	COc1cc(ccc1OC)C=NNC(=O)Cc1cccc2ccccc21
InChi:	InChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+
Definition date:	2021-04-01
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide

YUV

YUV
Name:	(25R)-14beta,17beta-spirost-5-en-3beta-ol
Formula:	C27 H42 O3
SMILES:	CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC21CCC(C)CO2
InChi:	InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
Definition date:	2021-04-01
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(25R)-14beta,17beta-spirost-5-en-3beta-ol

YUY

YUY
Name:	(2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
Formula:	C44 H72 O15
SMILES:	OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(CO)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1
InChi:	InChI=1S/C44H72O15/c1-22-7-13-44(55-20-22)23(2)33-30(59-44)16-29-27-6-5-25-15-26(8-11-42(25,3)28(27)9-12-43(29,33)4)53-14-10-24(17-45)21-54-40-38(52)36(50)39(32(19-47)57-40)58-41-37(51)35(49)34(48)31(18-46)56-41/h5,22-24,26-41,45-52H,6-21H2,1-4H3/t22-,23+,24-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-/m1/s1
Definition date:	2021-04-01
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

X52

X52
Name:	N-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-N-methylmethanesulfonamide
Formula:	C22 H28 N6 O2 S2
SMILES:	CCc1c(C#N)c(N(CCNC)C)nc(c1C#N)SCc2ccc(cc2)N(C)S(C)(=O)=O
InChi:	InChI=1S/C22H28N6O2S2/c1-6-18-19(13-23)21(27(3)12-11-25-2)26-22(20(18)14-24)31-15-16-7-9-17(10-8-16)28(4)32(5,29)30/h7-10,25H,6,11-12,15H2,1-5H3
Definition date:	2020-06-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	N-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-N-methylmethanesulfonamide

WPD

WPD
Name:	(2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
Formula:	C19 H24 F2 N4 O4
SMILES:	c1(c(CC)nc(N)nc1N)OCCCOc2cccc(CC(C(F)F)C(=O)O)c2
InChi:	InChI=1S/C19H24F2N4O4/c1-2-14-15(17(22)25-19(23)24-14)29-8-4-7-28-12-6-3-5-11(9-12)10-13(16(20)21)18(26)27/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,26,27)(H4,22,23,24,25)/t13-/m1/s1
Definition date:	2020-11-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid

WPJ

WPJ
Name:	(2R)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
Formula:	C19 H24 F2 N4 O4
SMILES:	CCc1nc(N)nc(c1OCCCOc2cccc(CC(C(F)F)C(O)=O)c2)N
InChi:	InChI=1S/C19H24F2N4O4/c1-2-14-15(17(22)25-19(23)24-14)29-8-4-7-28-12-6-3-5-11(9-12)10-13(16(20)21)18(26)27/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,26,27)(H4,22,23,24,25)/t13-/m0/s1
Definition date:	2020-11-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2R)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid

UXM

UXM
Name:	(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide
Formula:	C22 H24 N6 O S
SMILES:	C(C(c1ccccc1)Sc3c(c(CC)c(c(N2CCC(CC2)N)n3)C#N)C#N)(N)=O
InChi:	InChI=1S/C22H24N6OS/c1-2-16-17(12-23)21(28-10-8-15(25)9-11-28)27-22(18(16)13-24)30-19(20(26)29)14-6-4-3-5-7-14/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,29)/t19-/m1/s1
Definition date:	2020-06-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide

UZK

UZK
Name:	(2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
Formula:	C22 H28 N4 O3
SMILES:	C[CH]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[CH]4C[CH]4C3)C(=O)NCCC5CC5
InChi:	InChI=1S/C22H28N4O3/c1-13-8-20(27)24-18-10-15(21(28)23-7-6-14-2-3-14)4-5-19(18)26(13)22(29)25-11-16-9-17(16)12-25/h4-5,10,13-14,16-17H,2-3,6-9,11-12H2,1H3,(H,23,28)(H,24,27)/t13-,16-,17+/m0/s1
Synonyms:	(2~{S})-1-[[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide
Definition date:	2021-03-30
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2~{S})-1-[[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide

UZQ

UZQ
Name:	(2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
Formula:	C22 H24 F N3 O3
SMILES:	CCCCNC(=O)c1ccc2N([CH](C)CC(=O)Nc2c1)C(=O)c3ccccc3F
InChi:	InChI=1S/C22H24FN3O3/c1-3-4-11-24-21(28)15-9-10-19-18(13-15)25-20(27)12-14(2)26(19)22(29)16-7-5-6-8-17(16)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,28)(H,25,27)/t14-/m0/s1
Synonyms:	(2~{S})-~{N}-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide
Definition date:	2021-03-30
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2~{S})-~{N}-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide

UZT

UZT
Name:	(2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
Formula:	C22 H31 N5 O3
SMILES:	C[CH]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(N)CC3)C(=O)NCCC4CC4
InChi:	InChI=1S/C22H31N5O3/c1-14-12-20(28)25-18-13-16(21(29)24-9-6-15-2-3-15)4-5-19(18)27(14)22(30)26-10-7-17(23)8-11-26/h4-5,13-15,17H,2-3,6-12,23H2,1H3,(H,24,29)(H,25,28)/t14-/m0/s1
Synonyms:	(2~{S})-1-(4-azanylpiperidin-1-yl)carbonyl-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide
Definition date:	2021-03-30
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2~{S})-1-(4-azanylpiperidin-1-yl)carbonyl-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide

YOS

YOS
Name:	[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid
Formula:	C27 H30 F N3 O3
SMILES:	Fc1cc(c(OC)cc1)c1ccnc2[NH]c(cc12)C1=CCN(CC1)C1CCC(CC(=O)O)CC1
InChi:	InChI=1S/C27H30FN3O3/c1-34-25-7-4-19(28)15-22(25)21-8-11-29-27-23(21)16-24(30-27)18-9-12-31(13-10-18)20-5-2-17(3-6-20)14-26(32)33/h4,7-9,11,15-17,20H,2-3,5-6,10,12-14H2,1H3,(H,29,30)(H,32,33)/t17-,20-
Definition date:	2021-03-18
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid

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