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EDF

EDF
Name:	(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one
Formula:	C23 H25 N5 O
SMILES:	CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12
InChi:	InChI=1S/C23H25N5O/c1-15(2)28-16(3)22(29)27(4)20-11-10-18(14-21(20)28)25-23-24-13-12-19(26-23)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,24,25,26)/t16-/m1/s1
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one

EE6

EE6
Name:	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one
Formula:	C27 H28 O5
SMILES:	CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c3ccc(O)c(CC=C(C)C)c3
InChi:	InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one

EE9

EE9
Name:	(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one
Formula:	C26 H26 N6 O
SMILES:	CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12
InChi:	InChI=1S/C26H26N6O/c1-16(2)32-17(3)25(33)31(4)23-10-9-19(13-24(23)32)29-26-28-12-11-22(30-26)21-15-27-14-18-7-5-6-8-20(18)21/h5-17H,1-4H3,(H,28,29,30)/t17-/m1/s1
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one

EEL

EEL
Name:	(2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
Formula:	C9 H15 N O3 S2
SMILES:	OC(=O)[CH]1CCCN1C(=O)C(CS)CS
InChi:	InChI=1S/C9H15NO3S2/c11-8(6(4-14)5-15)10-3-1-2-7(10)9(12)13/h6-7,14-15H,1-5H2,(H,12,13)/t7-/m1/s1
Definition date:	2019-12-16
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid

EEO

EEO
Name:	(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid
Formula:	C11 H19 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCCCC[CH]1C(O)=O
InChi:	InChI=1S/C11H19NO3S/c1-8(7-16)10(13)12-6-4-2-3-5-9(12)11(14)15/h8-9,16H,2-7H2,1H3,(H,14,15)/t8-,9-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid

EER

EER
Name:	(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCCC[CH]1C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-5-3-2-4-8(11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid

EEX

EEX
Name:	(1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Formula:	C14 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:	InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(1~{R})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid

EF0

EF0
Name:	1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-8(3-5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid

EF9

EF9
Name:	(3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC[CH](C1)C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-3-8(5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8+/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{S})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid

EFF

EFF
Name:	1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
Formula:	C10 H18 N2 O2 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)C(N)=O
InChi:	InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide

EFR

EFR
Name:	2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide
Formula:	C11 H20 N2 O2 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O
InChi:	InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide

EG0

EG0
Name:	2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid
Formula:	C11 H19 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)CC(O)=O
InChi:	InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12-4-2-9(3-5-12)6-10(13)14/h8-9,16H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid

EKX

EKX
Name:	(1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Formula:	C14 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:	InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12+/m1/s1
Definition date:	2020-01-09
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(1~{S})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid

FGX

FGX
Name:	[(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
Formula:	C28 H31 B N5 O9 P S
SMILES:	CC(=O)CSc1ccc(cc1)[CH](O)c2ccc3CC[B-]4(O[CH]5[CH](CO[P+](O)(O)O)O[CH]([CH]5O4)n6cnc7c(N)ncnc67)c3c2
InChi:	InChI=1S/C28H31BN5O9PS/c1-15(35)12-45-19-6-4-17(5-7-19)23(36)18-3-2-16-8-9-29(20(16)10-18)42-24-21(11-40-44(37,38)39)41-28(25(24)43-29)34-14-33-22-26(30)31-13-32-27(22)34/h2-7,10,13-14,21,23-25,28,36-39H,8-9,11-12H2,1H3,(H2,30,31,32)/t21-,23+,24-,25+,28+,29+/m0/s1
Definition date:	2020-05-12
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	[(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium

QWN

QWN
Name:	6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
Formula:	C5 H2 Br Cl N4
SMILES:	Clc1nc2nn[nH]c2cc1Br
InChi:	InChI=1S/C5H2BrClN4/c6-2-1-3-5(8-4(2)7)10-11-9-3/h1H,(H,8,9,10,11)
Definition date:	2020-08-14
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine

QWW

QWW
Name:	5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
Formula:	C5 H Br3 N4
SMILES:	Brc1nc2nn[nH]c2c(Br)c1Br
InChi:	InChI=1S/C5HBr3N4/c6-1-2(7)4(8)9-5-3(1)10-12-11-5/h(H,9,10,11,12)
Definition date:	2020-08-17
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine

QX2

QX2
Name:	5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine
Formula:	C6 H2 Br3 N3
SMILES:	Brc1nc2nc[nH]c2c(Br)c1Br
InChi:	InChI=1S/C6H2Br3N3/c7-2-3(8)5(9)12-6-4(2)10-1-11-6/h1H,(H,10,11,12)
Definition date:	2020-08-18
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine

KUH

KUH
Name:	~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C22 H29 N3 O5 S
SMILES:	CCN(CC)[S](=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1
InChi:	InChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)15-11-12-19(30-4)17(13-15)24-22(27)21-16-9-7-8-10-18(26)20(16)14(3)23-21/h11-13,23H,5-10H2,1-4H3,(H,24,27)
Definition date:	2019-06-27
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

KXK

KXK
Name:	~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C24 H31 N3 O5 S
SMILES:	COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCCC4
InChi:	InChI=1S/C24H31N3O5S/c1-16-22-18(9-5-6-10-20(22)28)23(25-16)24(29)26-19-15-17(11-12-21(19)32-2)33(30,31)27-13-7-3-4-8-14-27/h11-12,15,25H,3-10,13-14H2,1-2H3,(H,26,29)
Definition date:	2019-07-03
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

L25

L25
Name:	~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C22 H27 N3 O6 S
SMILES:	COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOCC4
InChi:	InChI=1S/C22H27N3O6S/c1-14-20-16(5-3-4-6-18(20)26)21(23-14)22(27)24-17-13-15(7-8-19(17)30-2)32(28,29)25-9-11-31-12-10-25/h7-8,13,23H,3-6,9-12H2,1-2H3,(H,24,27)
Definition date:	2019-07-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

L2N

L2N
Name:	~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C23 H30 N4 O5 S
SMILES:	COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCN(C)CC4
InChi:	InChI=1S/C23H30N4O5S/c1-15-21-17(6-4-5-7-19(21)28)22(24-15)23(29)25-18-14-16(8-9-20(18)32-3)33(30,31)27-12-10-26(2)11-13-27/h8-9,14,24H,4-7,10-13H2,1-3H3,(H,25,29)
Definition date:	2019-07-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

L2W

L2W
Name:	~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C23 H29 N3 O5 S
SMILES:	COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCC4
InChi:	InChI=1S/C23H29N3O5S/c1-15-21-17(8-4-5-9-19(21)27)22(24-15)23(28)25-18-14-16(10-11-20(18)31-2)32(29,30)26-12-6-3-7-13-26/h10-11,14,24H,3-9,12-13H2,1-2H3,(H,25,28)
Definition date:	2019-07-17
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

QOG

QOG
Name:	5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide
Formula:	C6 H11 N5 O3 S2
SMILES:	C(C)(C)NC(=O)Nc1sc(S(N)(=O)=O)nn1
InChi:	InChI=1S/C6H11N5O3S2/c1-3(2)8-4(12)9-5-10-11-6(15-5)16(7,13)14/h3H,1-2H3,(H2,7,13,14)(H2,8,9,10,12)
Definition date:	2019-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide

QPY

QPY
Name:	benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate
Formula:	C24 H25 N9 O5
SMILES:	C(c1ccccc1)OC(N5C(C=4NC(=O)C(O)=C(C(=O)NCCn3cnc2c(ncnc23)N)N=4)CCC5)=O
InChi:	InChI=1S/C24H25N9O5/c25-19-17-21(28-12-27-19)32(13-29-17)10-8-26-22(35)16-18(34)23(36)31-20(30-16)15-7-4-9-33(15)24(37)38-11-14-5-2-1-3-6-14/h1-3,5-6,12-13,15,34H,4,7-11H2,(H,26,35)(H2,25,27,28)(H,30,31,36)/t15-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate

QQP

QQP
Name:	N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
Formula:	C19 H15 F3 N8 O3
SMILES:	n3cn(CCNC(C2=C(C(NC(c1ccccc1C(F)(F)F)=N2)=O)O)=O)c4c3c(N)ncn4
InChi:	InChI=1S/C19H15F3N8O3/c20-19(21,22)10-4-2-1-3-9(10)15-28-11(13(31)18(33)29-15)17(32)24-5-6-30-8-27-12-14(23)25-7-26-16(12)30/h1-4,7-8,31H,5-6H2,(H,24,32)(H2,23,25,26)(H,28,29,33)
Definition date:	2019-12-09
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide

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