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Q94

Q94
Name:	N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C12 H16 N8 O2 S2
SMILES:	c3(N1CCC(C1)Nc2nnc(NC(C)=O)s2)sc(nn3)NC(C)=O
InChi:	InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m1/s1
Definition date:	2019-10-04
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide

Q9A

Q9A
Name:	N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C12 H16 N8 O2 S2
SMILES:	C2C(CN(c1nnc(NC(C)=O)s1)C2)Nc3nnc(NC(C)=O)s3
InChi:	InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m0/s1
Definition date:	2019-10-04
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide

Q9S

Q9S
Name:	5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine
Formula:	C9 H13 N7 O S2
SMILES:	Nc3nnc(OC1CCN(CC1)c2nnc(N)s2)s3
InChi:	InChI=1S/C9H13N7OS2/c10-6-12-14-8(18-6)16-3-1-5(2-4-16)17-9-15-13-7(11)19-9/h5H,1-4H2,(H2,10,12)(H2,11,13)
Definition date:	2019-10-08
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine

Q9V

Q9V
Name:	N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
Formula:	C13 H17 N7 O3 S2
SMILES:	C2C(CCN(c1nnc(NC(C)=O)s1)C2)Oc3nnc(NC(C)=O)s3
InChi:	InChI=1S/C13H17N7O3S2/c1-7(21)14-10-16-18-12(24-10)20-5-3-9(4-6-20)23-13-19-17-11(25-13)15-8(2)22/h9H,3-6H2,1-2H3,(H,14,16,21)(H,15,17,22)
Definition date:	2019-10-08
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide

LVW

LVW
Name:	(2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol
Formula:	C6 H12 O2 Se
SMILES:	O[CH](C[SeH])COCC=C
InChi:	InChI=1S/C6H12O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7,9H,1,3-5H2/t6-/m1/s1
Definition date:	2019-09-23
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol

LWT

LWT
Name:	4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H19 Cl N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccccc4Cl
InChi:	InChI=1S/C18H19ClN2O2S/c19-16-7-2-1-4-14(16)18-13-6-3-5-12(13)15-10-11(24(20,22)23)8-9-17(15)21-18/h1-2,4,7-10,12-13,18,21H,3,5-6H2,(H2,20,22,23)/t12-,13+,18-/m0/s1
Definition date:	2019-09-25
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chlorophenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide

LYQ

LYQ
Name:	(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H19 Cl N2 O3 S
SMILES:	N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O)cc4Cl
InChi:	InChI=1S/C18H19ClN2O3S/c19-16-8-10(22)4-6-14(16)18-13-3-1-2-12(13)15-9-11(25(20,23)24)5-7-17(15)21-18/h4-9,12-13,18,21-22H,1-3H2,(H2,20,23,24)/t12-,13+,18-/m0/s1
Definition date:	2019-09-28
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide

QPM

QPM
Name:	4-amino-2,2,6,6-tetramethylpiperidin-1-ol
Formula:	C9 H19 N2 O
SMILES:	N1([O-])C(C)(C)CC(CC1(C)C)N
InChi:	InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3/q-1
Synonyms:	4-Amino-TEMPO
Definition date:	2019-12-06
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	4-amino-2,2,6,6-tetramethylpiperidin-1-olate

QQN

QQN
Name:	[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone
Formula:	C22 H24 Cl N3 O4
SMILES:	COc1cc(cc2oc(NCc3cccc(Cl)c3)nc12)C(=O)N4CC[CH](O)[CH](C)C4
InChi:	InChI=1S/C22H24ClN3O4/c1-13-12-26(7-6-17(13)27)21(28)15-9-18(29-2)20-19(10-15)30-22(25-20)24-11-14-4-3-5-16(23)8-14/h3-5,8-10,13,17,27H,6-7,11-12H2,1-2H3,(H,24,25)/t13-,17-/m1/s1
Definition date:	2020-07-24
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone

P9Y

P9Y
Name:	1-[3-(4-chlorophenoxy)propyl]-1H-imidazole
Formula:	C12 H13 Cl N2 O
SMILES:	c1(ccc(cc1)Cl)OCCCn2ccnc2
InChi:	InChI=1S/C12H13ClN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9H2
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	1-[3-(4-chlorophenoxy)propyl]-1H-imidazole

PBY

PBY
Name:	N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine
Formula:	C10 H9 Cl N4
SMILES:	c1(cc(ccc1)Cl)Nc2cc(N)ncn2
InChi:	InChI=1S/C10H9ClN4/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15)
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine

EUX

EUX
Name:	N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine
Formula:	C31 H34 F3 N9 O3 S
SMILES:	CC(C)n1c2cc(Nc3ccnc(n3)c4cnn(c4)[S](=O)(=O)C5CC5)ncc2c6c(OCC(F)(F)F)cc(cc16)N7CCN(C)CC7
InChi:	InChI=1S/C31H34F3N9O3S/c1-19(2)43-24-14-28(38-27-6-7-35-30(39-27)20-15-37-42(17-20)47(44,45)22-4-5-22)36-16-23(24)29-25(43)12-21(41-10-8-40(3)9-11-41)13-26(29)46-18-31(32,33)34/h6-7,12-17,19,22H,4-5,8-11,18H2,1-3H3,(H,35,36,38,39)
Definition date:	2020-01-29
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine

F5O

F5O
Name:	4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid
Formula:	C32 H30 F5 N3 O5
SMILES:	COc1cccc(c1F)C2=C(C)N(Cc3c(F)cccc3C(F)(F)F)C(=O)N(C[CH](NCCCC(O)=O)c4ccccc4)C2=O
InChi:	InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1
Definition date:	2020-03-31
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	4-[[(1~{R})-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid

T9D

T9D
Name:	5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one
Formula:	C18 H17 F3 N4 O2
SMILES:	C1(=C(C=NNC1=O)n2cc3c(c2)ccc(c3)OC4CCNCC4)C(F)(F)F
InChi:	InChI=1S/C18H17F3N4O2/c19-18(20,21)16-15(8-23-24-17(16)26)25-9-11-1-2-14(7-12(11)10-25)27-13-3-5-22-6-4-13/h1-2,7-10,13,22H,3-6H2,(H,24,26)
Definition date:	2020-03-17
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one

970

970
Name:	(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
Formula:	C23 H22 O6
SMILES:	c3c4C(=O)C5c1c(cc(c(OC)c1)OC)OCC5Oc4c2CC(C(C)=C)Oc2c3
InChi:	InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
Definition date:	2018-01-26
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one

U0D

U0D
Name:	4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
Formula:	C31 H36 F3 N7
SMILES:	n2(cnc(c1ccc(cc1)C(F)(F)F)c2c3ccnc(n3)Nc4cc(cc(c4)C)C)C5CCN(CC5)CCN(C)C
InChi:	InChI=1S/C31H36F3N7/c1-21-17-22(2)19-25(18-21)37-30-35-12-9-27(38-30)29-28(23-5-7-24(8-6-23)31(32,33)34)36-20-41(29)26-10-13-40(14-11-26)16-15-39(3)4/h5-9,12,17-20,26H,10-11,13-16H2,1-4H3,(H,35,37,38)
Definition date:	2020-04-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine

PJ1

PJ1
Name:	(2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol
Formula:	C13 H16 Cl N3 O
SMILES:	c1(ccc(cc1)Cl)N(CC(Cn2ccnc2)O)C
InChi:	InChI=1S/C13H16ClN3O/c1-16(12-4-2-11(14)3-5-12)8-13(18)9-17-7-6-15-10-17/h2-7,10,13,18H,8-9H2,1H3/t13-/m1/s1
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol

PJ4

PJ4
Name:	(1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline
Formula:	C14 H18 Cl N3
SMILES:	c12C(N=C(Cl)Cc1cccc2)N3CCN(CC3)C
InChi:	InChI=1S/C14H18ClN3/c1-17-6-8-18(9-7-17)14-12-5-3-2-4-11(12)10-13(15)16-14/h2-5,14H,6-10H2,1H3
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline

PJD

PJD
Name:	1,3-dichloro-2-[(methylsulfonyl)methyl]benzene
Formula:	C8 H8 Cl2 O2 S
SMILES:	c1(c(cccc1Cl)Cl)CS(C)(=O)=O
InChi:	InChI=1S/C8H8Cl2O2S/c1-13(11,12)5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	1,3-dichloro-2-[(methylsulfonyl)methyl]benzene

PJG

PJG
Name:	N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine
Formula:	C12 H22 N2
SMILES:	C13(CC2CC(CC(C1)C2)C3)NCCN
InChi:	InChI=1S/C12H22N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,1-8,13H2/t9-,10+,11-,12-
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine

PJP

PJP
Name:	N,N-diethyl-4-methylbenzene-1-sulfonamide
Formula:	C11 H17 N O2 S
SMILES:	CCN(CC)S(c1ccc(cc1)C)(=O)=O
InChi:	InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N,N-diethyl-4-methylbenzene-1-sulfonamide

PJS

PJS
Name:	N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide
Formula:	C14 H13 Cl F N3 O
SMILES:	Cc1nc(ccn1)C(N(Cc2c(F)cccc2Cl)C)=O
InChi:	InChI=1S/C14H13ClFN3O/c1-9-17-7-6-13(18-9)14(20)19(2)8-10-11(15)4-3-5-12(10)16/h3-7H,8H2,1-2H3
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide

PJV

PJV
Name:	3-(2-bromophenoxy)pyridazine
Formula:	C10 H7 Br N2 O
SMILES:	c1(Br)ccccc1Oc2cccnn2
InChi:	InChI=1S/C10H7BrN2O/c11-8-4-1-2-5-9(8)14-10-6-3-7-12-13-10/h1-7H
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	3-(2-bromophenoxy)pyridazine

PJY

PJY
Name:	N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide
Formula:	C9 H12 N2 O S
SMILES:	CSc1c(cccn1)C(=O)N(C)C
InChi:	InChI=1S/C9H12N2OS/c1-11(2)9(12)7-5-4-6-10-8(7)13-3/h4-6H,1-3H3
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide

PK7

PK7
Name:	1-(3-chloro-4-fluorophenyl)methanamine
Formula:	C7 H7 Cl F N
SMILES:	C(c1ccc(F)c(c1)Cl)N
InChi:	InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	1-(3-chloro-4-fluorophenyl)methanamine

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