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8EH

8EH
Name:	(1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide
Formula:	C24 H27 N7 O5 S
SMILES:	COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O)c3ncc(C)cn3)nnc2c4cccc(C)n4
InChi:	InChI=1S/C24H27N7O5S/c1-14-12-25-22(26-13-14)21(32)16(3)37(33,34)30-24-29-28-23(17-9-6-8-15(2)27-17)31(24)20-18(35-4)10-7-11-19(20)36-5/h6-13,16,21,32H,1-5H3,(H,29,30)/t16-,21-/m0/s1
Definition date:	2021-12-09
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(1~{R},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide

8G9

8G9
Name:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C26 H45 N5 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C26H45N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-16-17(26(16,7)8)18(31)21(34)28-15(13-32)11-14-9-10-27-20(14)33/h14-19,32H,9-13H2,1-8H3,(H,27,33)(H,28,34)(H2,29,30,36)/t14-,15-,16-,17-,18-,19+/m0/s1
Definition date:	2021-09-16
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

8GW

8GW
Name:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C31 H52 N6 O6
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCC3CC3)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C31H52N6O6/c1-29(2,3)23(35-28(43)36-30(4,5)6)27(42)37-15-18-20(31(18,7)8)21(37)25(40)34-19(13-17-11-12-32-24(17)39)22(38)26(41)33-14-16-9-10-16/h16-23,38H,9-15H2,1-8H3,(H,32,39)(H,33,41)(H,34,40)(H2,35,36,43)/t17-,18-,19-,20-,21-,22+,23+/m0/s1
Definition date:	2021-09-16
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

8H3

8H3
Name:	(1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C31 H54 N6 O6
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCCCC)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C31H54N6O6/c1-10-11-13-32-26(41)22(38)19(15-17-12-14-33-24(17)39)34-25(40)21-20-18(31(20,8)9)16-37(21)27(42)23(29(2,3)4)35-28(43)36-30(5,6)7/h17-23,38H,10-16H2,1-9H3,(H,32,41)(H,33,39)(H,34,40)(H2,35,36,43)/t17-,18-,19-,20-,21-,22+,23+/m0/s1
Definition date:	2021-09-16
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

8H9

8H9
Name:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C33 H58 N6 O6
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCCCCCC)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C33H58N6O6/c1-10-11-12-13-15-34-28(43)24(40)21(17-19-14-16-35-26(19)41)36-27(42)23-22-20(33(22,8)9)18-39(23)29(44)25(31(2,3)4)37-30(45)38-32(5,6)7/h19-25,40H,10-18H2,1-9H3,(H,34,43)(H,35,41)(H,36,42)(H2,37,38,45)/t19-,20-,21-,22-,23-,24+,25+/m0/s1
Definition date:	2021-09-16
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

8I0

8I0
Name:	(1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C34 H52 N6 O6
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCc3ccccc3)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C34H52N6O6/c1-32(2,3)26(38-31(46)39-33(4,5)6)30(45)40-18-21-23(34(21,7)8)24(40)28(43)37-22(16-20-14-15-35-27(20)42)25(41)29(44)36-17-19-12-10-9-11-13-19/h9-13,20-26,41H,14-18H2,1-8H3,(H,35,42)(H,36,44)(H,37,43)(H2,38,39,46)/t20-,21-,22-,23-,24-,25+,26+/m0/s1
Definition date:	2021-09-16
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

8I7

8I7
Name:	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C26 H44 N4 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)CC(C)C)C(C)(C)C
InChi:	InChI=1S/C26H44N4O5/c1-14(2)10-18(32)29-21(25(3,4)5)24(35)30-12-17-19(26(17,6)7)20(30)23(34)28-16(13-31)11-15-8-9-27-22(15)33/h14-17,19-21,31H,8-13H2,1-7H3,(H,27,33)(H,28,34)(H,29,32)/t15-,16-,17-,19-,20-,21+/m0/s1
Definition date:	2021-09-16
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

T0K

T0K
Name:	(2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide
Formula:	C33 H36 N4 O2 S
SMILES:	O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1
InChi:	InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31-/m0/s1
Definition date:	2022-07-14
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide

EL0

EL0
Name:	(6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one
Formula:	C29 H32 Cl N5 O5 S
SMILES:	COc1ccc(cc1Cl)N2[CH](CCCC2=O)c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C
InChi:	InChI=1S/C29H32ClN5O5S/c1-17-28(18(2)40-32-17)19-8-10-24-23(14-19)31-29(35(24)21-12-13-33(16-21)41(4,37)38)25-6-5-7-27(36)34(25)20-9-11-26(39-3)22(30)15-20/h8-11,14-15,21,25H,5-7,12-13,16H2,1-4H3/t21-,25+/m1/s1
Definition date:	2022-04-21
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(6~{S})-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3~{R})-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one

NXR

NXR
Name:	N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide
Formula:	C32 H34 N4 O2 S
SMILES:	O=C(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1
InChi:	InChI=1S/C32H34N4O2S/c37-31(28-16-9-18-34-23-28)36-29(20-25-10-3-1-4-11-25)24-39-30(21-26-12-5-2-6-13-26)32(38)35-19-8-15-27-14-7-17-33-22-27/h1-7,9-14,16-18,22-23,29-30H,8,15,19-21,24H2,(H,35,38)(H,36,37)/t29-,30+/m0/s1
Definition date:	2022-04-13
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide

NYF

NYF
Name:	N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide
Formula:	C34 H37 N5 O3 S
SMILES:	O=C(NCC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1
InChi:	InChI=1S/C34H37N5O3S/c40-32(24-38-33(41)29-16-9-18-36-23-29)39-30(20-26-10-3-1-4-11-26)25-43-31(21-27-12-5-2-6-13-27)34(42)37-19-8-15-28-14-7-17-35-22-28/h1-7,9-14,16-18,22-23,30-31H,8,15,19-21,24-25H2,(H,37,42)(H,38,41)(H,39,40)/t30-,31+/m0/s1
Definition date:	2022-04-13
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide

U08

U08
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile
Formula:	C12 H13 N5 O4
SMILES:	Nc1ncnn2c1ccc2[C]3(O[CH](CO)[CH](O)[CH]3O)C#N
InChi:	InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1
Synonyms:	Remdesivir, reacted form
Definition date:	2021-01-15
Last modified:	2022-07-20
Release date:	2021-01-27
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile

2GI

2GI
Name:	1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C23 H27 N9 O
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CCc4ccccc4)nn3)c5c(N)ncnc25
InChi:	InChI=1S/C23H27N9O/c1-2-19(33)30-11-6-9-17(13-30)32-23-20(22(24)25-15-26-23)21(28-32)18-14-31(29-27-18)12-10-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,2,6,9-13H2,1H3,(H2,24,25,26)/t17-/m1/s1
Definition date:	2021-06-15
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

2I8

2I8
Name:	3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide
Formula:	C27 H25 N7 O2
SMILES:	CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)c5ccccc5C
InChi:	InChI=1S/C27H25N7O2/c1-3-25(35)29-20-13-18(26-22-9-5-6-10-23(22)31-32-26)12-19(14-20)27(36)28-15-21-16-34(33-30-21)24-11-7-4-8-17(24)2/h4-14,16H,3,15H2,1-2H3,(H,28,36)(H,29,35)(H,31,32)
Definition date:	2021-06-15
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide

4EI

4EI
Name:	perfluoroheptanoic acid
Formula:	C7 H F13 O2
SMILES:	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
Definition date:	2021-07-27
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoic acid

4Q6

4Q6
Name:	(2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid
Formula:	C20 H13 Br2 N3 O3 S
SMILES:	OC(=O)c1ccc2N(Cc3ccccc3)C(Sc2c1)=NC(=O)c4[nH]c(Br)c(Br)c4
InChi:	InChI=1S/C20H13Br2N3O3S/c21-13-9-14(23-17(13)22)18(26)24-20-25(10-11-4-2-1-3-5-11)15-7-6-12(19(27)28)8-16(15)29-20/h1-9,23H,10H2,(H,27,28)/b24-20-
Definition date:	2021-07-07
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	(2~{Z})-2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid

5R4

5R4
Name:	3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide
Formula:	C24 H24 Cl N5 O4
SMILES:	NC(=O)c1cccc(c1)C#CCN(CC1CC(C(O)C1O)n1ccc2c1ncnc2Cl)C(C)=O
InChi:	InChI=1S/C24H24ClN5O4/c1-14(31)29(8-3-5-15-4-2-6-16(10-15)23(26)34)12-17-11-19(21(33)20(17)32)30-9-7-18-22(25)27-13-28-24(18)30/h2,4,6-7,9-10,13,17,19-21,32-33H,8,11-12H2,1H3,(H2,26,34)/t17-,19-,20-,21+/m1/s1
Definition date:	2021-07-23
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide

I0K

I0K
Name:	(2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile
Formula:	C15 H13 N O2
SMILES:	Oc1ccc(C[CH](C#N)c2ccc(O)cc2)cc1
InChi:	InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1
Definition date:	2022-05-30
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	(2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile

I1D

I1D
Name:	(2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile
Formula:	C15 H12 Cl N O2
SMILES:	Oc1ccc(cc1)[CH](Cc2ccc(O)cc2Cl)C#N
InChi:	InChI=1S/C15H12ClNO2/c16-15-8-14(19)6-3-11(15)7-12(9-17)10-1-4-13(18)5-2-10/h1-6,8,12,18-19H,7H2/t12-/m0/s1
Definition date:	2022-05-30
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	(2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile

I1I

I1I
Name:	(2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile
Formula:	C15 H12 Cl N O2
SMILES:	Oc1ccc(cc1)[CH](Cc2ccc(O)cc2Cl)C#N
InChi:	InChI=1S/C15H12ClNO2/c16-15-8-14(19)6-3-11(15)7-12(9-17)10-1-4-13(18)5-2-10/h1-6,8,12,18-19H,7H2/t12-/m1/s1
Definition date:	2022-05-30
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	(2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile

I1M

I1M
Name:	(2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile
Formula:	C15 H12 Cl N O2
SMILES:	Oc1ccc(C[CH](C#N)c2ccc(O)cc2Cl)cc1
InChi:	InChI=1S/C15H12ClNO2/c16-15-8-13(19)5-6-14(15)11(9-17)7-10-1-3-12(18)4-2-10/h1-6,8,11,18-19H,7H2/t11-/m0/s1
Definition date:	2022-05-30
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	(2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile

I2B

I2B
Name:	(2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile
Formula:	C15 H12 Cl N O2
SMILES:	Oc1ccc(C[CH](C#N)c2ccc(O)cc2Cl)cc1
InChi:	InChI=1S/C15H12ClNO2/c16-15-8-13(19)5-6-14(15)11(9-17)7-10-1-3-12(18)4-2-10/h1-6,8,11,18-19H,7H2/t11-/m1/s1
Definition date:	2022-05-31
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	(2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile

I5M

I5M
Name:	5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine
Formula:	C27 H44 N9 O11 P S2
SMILES:	O=P(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CCCN1
InChi:	InChI=1S/C27H44N9O11PS2/c1-27(2,12-46-48(42)43)22(40)25(41)31-7-5-18(37)30-8-9-49-17(15-4-3-6-29-15)11-50(44,45)35-10-16-20(38)21(39)26(47-16)36-14-34-19-23(28)32-13-33-24(19)36/h13-17,20-22,26,29,35,38-40H,3-12H2,1-2H3,(H,30,37)(H,31,41)(H2,28,32,33)/t15-,16+,17+,20+,21+,22-,26+/m0/s1
Definition date:	2022-01-13
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine

IA1

IA1
Name:	2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid
Formula:	C32 H36 Cl N3 O5 S
SMILES:	COc1cc(c(OC)cc1Cl)c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(O)=O)sc2CCC5CCCCC5
InChi:	InChI=1S/C32H36ClN3O5S/c1-18-12-19(2)30-21(13-18)14-24(36(30)17-28(37)38)31(39)35-32-34-29(22-15-26(41-4)23(33)16-25(22)40-3)27(42-32)11-10-20-8-6-5-7-9-20/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39)
Definition date:	2022-06-20
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid

21I

21I
Name:	~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide
Formula:	C24 H25 N7 O2
SMILES:	CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)C5CCC5
InChi:	InChI=1S/C24H25N7O2/c1-2-22(32)26-17-11-15(23-20-8-3-4-9-21(20)28-29-23)10-16(12-17)24(33)25-13-18-14-31(30-27-18)19-6-5-7-19/h3-4,8-12,14,19H,2,5-7,13H2,1H3,(H,25,33)(H,26,32)(H,28,29)
Definition date:	2021-06-15
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide

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數據於2024-09-04公開中

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