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9B0

9B0
Name:	[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate
Formula:	C40 H66 N2 O9
SMILES:	CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(=O)N3CCN(CC3)C4CCCCCC4)C=C[CH]2C
InChi:	InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1
Definition date:	2018-03-01
Last modified:	2022-10-04
Release date:	2018-03-21
Identifier:	[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate

2KW

2KW
Name:	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
Formula:	C17 H11 Cl F3 N5 O3
SMILES:	FC(F)(F)C2=C(Oc1cc(C#N)cc(Cl)c1)C(=O)N(C=C2)CC3=NNC(=O)N3C
InChi:	InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
Synonyms:	Doravirine
Definition date:	2013-11-21
Last modified:	2022-10-03
Release date:	2014-02-12
Identifier:	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile

ZE0

ZE0
Name:	(3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol
Formula:	C40 H56 O
SMILES:	OC(C)(C)CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC=C(C)C)C)C)C)C)C)C
InChi:	InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-17,19-30,41H,18,31-32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
Definition date:	2012-12-18
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol

WFW

WFW
Name:	benzyl [2-(6-{[2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamoyl}-5-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)propan-2-yl]carbamate
Formula:	C24 H26 N8 O5
SMILES:	O=C(OCc1ccccc1)NC(C)(C)C1=NC(=O)C(O)=C(N1)C(=O)NCCn1ccc2c(N)ncnc21
InChi:	InChI=1S/C24H26N8O5/c1-24(2,31-23(36)37-12-14-6-4-3-5-7-14)22-29-16(17(33)21(35)30-22)20(34)26-9-11-32-10-8-15-18(25)27-13-28-19(15)32/h3-8,10,13,33H,9,11-12H2,1-2H3,(H,26,34)(H,31,36)(H2,25,27,28)(H,29,30,35)
Definition date:	2022-09-07
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	benzyl [2-(6-{[2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamoyl}-5-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)propan-2-yl]carbamate

WIU

WIU
Name:	(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate
Formula:	C24 H32 N10 O2
SMILES:	CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC(COC(=O)NCCN)c1ccccc1
InChi:	InChI=1S/C24H32N10O2/c1-24(2,3)18-12-19(33-34(18)4)29-20-16-13-27-32-21(16)31-22(30-20)28-17(15-8-6-5-7-9-15)14-36-23(35)26-11-10-25/h5-9,12-13,17H,10-11,14,25H2,1-4H3,(H,26,35)(H3,27,28,29,30,31,32,33)/t17-/m0/s1
Definition date:	2022-09-13
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate

GJF

GJF
Name:	(1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol
Formula:	C20 H24 N10 O10 P2 S2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](O)[CH](CO[P](S)(=O)O[CH]4[CH]3O)O[CH]5n6cnc7c(N)ncnc67
InChi:	InChI=1S/C20H24N10O10P2S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-,41+,42+/m1/s1
Definition date:	2022-05-15
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol

9VI

9VI
Name:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide
Formula:	C34 H27 Cl F5 N9 O4 S
SMILES:	CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2cccnc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2C=CCCc21)C(F)(F)F
InChi:	InChI=1S/C34H27ClF5N9O4S/c1-47-28-25(10-9-22(35)27(28)31(45-47)46-54(2,52)53)49-32(43-30-21(33(49)51)7-5-11-41-30)23(14-17-12-18(36)15-19(37)13-17)42-26(50)16-48-24-8-4-3-6-20(24)29(44-48)34(38,39)40/h3,5-7,9-13,15,23H,4,8,14,16H2,1-2H3,(H,42,50)(H,45,46)/t23-/m0/s1
Definition date:	2021-10-29
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide

9WW

9WW
Name:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide
Formula:	C34 H27 Cl F4 N8 O4 S
SMILES:	CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2ccccc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)CN1NC(=C2C=CC=C21)C(F)F
InChi:	InChI=1S/C34H27ClF4N8O4S/c1-45-30-26(11-10-22(35)28(30)32(43-45)44-52(2,50)51)47-33(41-23-8-4-3-6-20(23)34(47)49)24(14-17-12-18(36)15-19(37)13-17)40-27(48)16-46-25-9-5-7-21(25)29(42-46)31(38)39/h3-13,15,24,31,42H,14,16H2,1-2H3,(H,40,48)(H,43,44)/t24-/m0/s1
Definition date:	2021-10-29
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide

1LT

1LT
Name:	(2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide
Formula:	C19 H22 F3 N5 O2 S
SMILES:	O=C(Nc1nc(c(s1)c2ccnc(c2)C(C)(C)C(F)(F)F)C)N3C(C(=O)N)CCC3
InChi:	InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
Synonyms:	Alpelisib
Definition date:	2013-03-22
Last modified:	2022-09-30
Release date:	2014-04-02
Identifier:	(2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide

8ZI

8ZI
Name:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C28 H47 N5 O6
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C28H47N5O6/c1-26(2,3)12-17(34)32-21(27(4,5)6)25(39)33-13-15-18(28(15,7)8)19(33)24(38)31-16(20(35)22(29)36)11-14-9-10-30-23(14)37/h14-16,18-21,35H,9-13H2,1-8H3,(H2,29,36)(H,30,37)(H,31,38)(H,32,34)/t14-,15-,16-,18-,19-,20+,21+/m0/s1
Definition date:	2021-10-04
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

90H

90H
Name:	(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C25 H38 F3 N5 O6
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C25H38F3N5O6/c1-23(2,3)17(32-22(39)25(26,27)28)21(38)33-10-12-14(24(12,4)5)15(33)19(36)31-13(16(34)20(37)29-6)9-11-7-8-30-18(11)35/h11-17,34H,7-10H2,1-6H3,(H,29,37)(H,30,35)(H,31,36)(H,32,39)/t11-,12-,13-,14-,15-,16+,17+/m0/s1
Definition date:	2021-10-04
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

90U

90U
Name:	benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Formula:	C24 H32 N4 O6
SMILES:	NC(=O)C(O)C(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C
InChi:	InChI=1S/C24H32N4O6/c1-24(2)15-11-28(23(33)34-12-13-6-4-3-5-7-13)18(17(15)24)22(32)27-16(19(29)20(25)30)10-14-8-9-26-21(14)31/h3-7,14-19,29H,8-12H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)/t14-,15-,16-,17-,18-,19+/m0/s1
Definition date:	2021-10-04
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

91I

91I
Name:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C25 H34 N4 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CCc1ccccc1
InChi:	InChI=1S/C25H34N4O5/c1-25(2)16-13-29(18(30)9-8-14-6-4-3-5-7-14)20(19(16)25)24(34)28-17(21(31)22(26)32)12-15-10-11-27-23(15)33/h3-7,15-17,19-21,31H,8-13H2,1-2H3,(H2,26,32)(H,27,33)(H,28,34)/t15-,16-,17-,19-,20-,21+/m0/s1
Definition date:	2021-10-04
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

91Z

91Z
Name:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C24 H30 F3 N5 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CNc1c(F)cc(F)cc1F
InChi:	InChI=1S/C24H30F3N5O5/c1-24(2)12-9-32(16(33)8-30-18-13(26)6-11(25)7-14(18)27)19(17(12)24)23(37)31-15(20(34)21(28)35)5-10-3-4-29-22(10)36/h6-7,10,12,15,17,19-20,30,34H,3-5,8-9H2,1-2H3,(H2,28,35)(H,29,36)(H,31,37)/t10-,12-,15-,17-,19-,20+/m0/s1
Definition date:	2021-10-04
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

99W

99W
Name:	(S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide
Formula:	C21 H28 F3 N5 O3
SMILES:	Fc1cc(F)cc(F)c1NCC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C21H28F3N5O3/c1-11(2)5-17(21(32)28-14(9-25)6-12-3-4-26-20(12)31)29-18(30)10-27-19-15(23)7-13(22)8-16(19)24/h7-9,11-12,14,17,25,27H,3-6,10H2,1-2H3,(H,26,31)(H,28,32)(H,29,30)/b25-9-/t12-,14-,17-/m0/s1
Synonyms:	N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Definition date:	2021-10-06
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

9A9

9A9
Name:	N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide
Formula:	C14 H21 N3 O3
SMILES:	O=C(NCCN(C)CCCC(=O)NO)c1ccccc1
InChi:	InChI=1S/C14H21N3O3/c1-17(10-5-8-13(18)16-20)11-9-15-14(19)12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,19)(H,16,18)
Definition date:	2021-10-06
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide

9BI

9BI
Name:	4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide
Formula:	C14 H21 N3 O3
SMILES:	O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO
InChi:	InChI=1S/C14H21N3O3/c1-17(10-5-8-14(19)16-20)11-9-13(18)15-12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,18)(H,16,19)
Definition date:	2021-10-06
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide

9DL

9DL
Name:	5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide
Formula:	C14 H21 N3 O3
SMILES:	O=C(Nc1ccccc1)CN(C)CCCCC(=O)NO
InChi:	InChI=1S/C14H21N3O3/c1-17(10-6-5-9-13(18)16-20)11-14(19)15-12-7-3-2-4-8-12/h2-4,7-8,20H,5-6,9-11H2,1H3,(H,15,19)(H,16,18)
Definition date:	2021-10-06
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide

D06

D06
Name:	(2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one
Formula:	C20 H29 N3 O
SMILES:	O=C(N1Cc2ccccc2C1)C(N)C1CCC(CC1)N1CCCC1
InChi:	InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15-,18-,19-/m0/s1
Definition date:	2021-11-23
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one

JYO

JYO
Name:	(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
Formula:	C22 H20 F3 N3 O2
SMILES:	NCC[CH]1CN=C(O)c2cc(c3cccc(OC(F)(F)F)c3)c(n12)c4ccccc4
InChi:	InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)/t16-/m0/s1
Definition date:	2022-05-16
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol

K6L

K6L
Name:	[(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
Formula:	C20 H34 N O6 P
SMILES:	CCCCCCc1ccccc1CCCCC(=O)N[CH](CO)CO[P](O)(O)=O
InChi:	InChI=1S/C20H34NO6P/c1-2-3-4-5-10-17-11-6-7-12-18(17)13-8-9-14-20(23)21-19(15-22)16-27-28(24,25)26/h6-7,11-12,19,22H,2-5,8-10,13-16H2,1H3,(H,21,23)(H2,24,25,26)/t19-/m1/s1
Definition date:	2022-09-11
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	[(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate

E4C

E4C
Name:	(8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one
Formula:	C22 H30 N6 O
SMILES:	CC(C)(C)c1ccc(cc1)CNc1nc2N=C(CC(=O)n2n1)CN1CCCCC1
InChi:	InChI=1S/C22H30N6O/c1-22(2,3)17-9-7-16(8-10-17)14-23-20-25-21-24-18(13-19(29)28(21)26-20)15-27-11-5-4-6-12-27/h7-10H,4-6,11-15H2,1-3H3,(H,23,26)
Definition date:	2021-12-02
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one

E5B

E5B
Name:	(8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C21 H28 N6 O2
SMILES:	CC(C)(C)c1ccc(cc1)CNc1nc2NC(CN3CCOCC3)=CC(=O)n2n1
InChi:	InChI=1S/C21H28N6O2/c1-21(2,3)16-6-4-15(5-7-16)13-22-19-24-20-23-17(12-18(28)27(20)25-19)14-26-8-10-29-11-9-26/h4-7,12H,8-11,13-14H2,1-3H3,(H2,22,23,24,25)
Definition date:	2021-12-02
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

E66

E66
Name:	(8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
Formula:	C23 H33 N7 O
SMILES:	CC(C)(C)c1ccc(cc1)CNc1nc2nc(CN3CCOCC3)cc(N(C)C)n2n1
InChi:	InChI=1S/C23H33N7O/c1-23(2,3)18-8-6-17(7-9-18)15-24-21-26-22-25-19(16-29-10-12-31-13-11-29)14-20(28(4)5)30(22)27-21/h6-9,14H,10-13,15-16H2,1-5H3,(H,24,27)
Definition date:	2021-12-02
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

L4O

L4O
Name:	tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Formula:	C10 H18 N2 O2
SMILES:	CC(C)(C)OC(=O)N1CC2CC1CN2
InChi:	InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

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