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8TY

8TY
Name:	1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one
Formula:	C7 H14 N2 O3 S
SMILES:	N1(C(C)=O)CCN(CC1)S(C)(=O)=O
InChi:	InChI=1S/C7H14N2O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H2,1-2H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one

8U1

8U1
Name:	N-[(4-methoxyphenyl)methyl]acetamide
Formula:	C10 H13 N O2
SMILES:	N(C(C)=O)Cc1ccc(cc1)OC
InChi:	InChI=1S/C10H13NO2/c1-8(12)11-7-9-3-5-10(13-2)6-4-9/h3-6H,7H2,1-2H3,(H,11,12)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-[(4-methoxyphenyl)methyl]acetamide

8U4

8U4
Name:	N-[(3-chlorophenyl)methyl]acetamide
Formula:	C9 H10 Cl N O
SMILES:	N(C(C)=O)Cc1cccc(c1)Cl
InChi:	InChI=1S/C9H10ClNO/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3,(H,11,12)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-[(3-chlorophenyl)methyl]acetamide

8U7

8U7
Name:	N-(1-benzylpiperidin-4-yl)-N'-methylurea
Formula:	C14 H21 N3 O
SMILES:	N(C)C(NC1CCN(CC1)Cc2ccccc2)=O
InChi:	InChI=1S/C14H21N3O/c1-15-14(18)16-13-7-9-17(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,16,18)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-(1-benzylpiperidin-4-yl)-N'-methylurea

8UA

8UA
Name:	N-[(pyridin-2-yl)methyl]acetamide
Formula:	C8 H10 N2 O
SMILES:	N(C(C)=O)Cc1ccccn1
InChi:	InChI=1S/C8H10N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3,(H,10,11)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-[(pyridin-2-yl)methyl]acetamide

8UD

8UD
Name:	2-amino-N-methylpyridine-3-carboxamide
Formula:	C7 H9 N3 O
SMILES:	N(C)C(c1cccnc1N)=O
InChi:	InChI=1S/C7H9N3O/c1-9-7(11)5-3-2-4-10-6(5)8/h2-4H,1H3,(H2,8,10)(H,9,11)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	2-amino-N-methylpyridine-3-carboxamide

8UG

8UG
Name:	ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
Formula:	C10 H14 N2 O2
SMILES:	n2cc1c(CCC(C1)C(OCC)=O)n2
InChi:	InChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate

8UJ

8UJ
Name:	N-{[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide
Formula:	C11 H20 N2 O3 S
SMILES:	N(CC1CC(=O)N(C1)C2CCCC2)S(C)(=O)=O
InChi:	InChI=1S/C11H20N2O3S/c1-17(15,16)12-7-9-6-11(14)13(8-9)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3/t9-/m0/s1
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-{[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide

231

231
Name:	4-PHENYL-1H-IMIDAZOLE
Formula:	C9 H8 N2
SMILES:	n2c(c1ccccc1)cnc2
InChi:	InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
Definition date:	2007-05-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	4-phenyl-1H-imidazole

U91

U91
Name:	1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide
Formula:	C18 H13 F4 N3 O2
SMILES:	Cn1nc(O)c(c1C)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3
InChi:	InChI=1S/C18H13F4N3O2/c1-8-10(18(27)24-25(8)2)17(26)23-16-14(21)12(19)11(13(20)15(16)22)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,23,26)(H,24,27)
Definition date:	2017-01-16
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide

Y9B

Y9B
Name:	4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide
Formula:	C15 H7 F4 N3 O2 S
SMILES:	Oc1nsnc1C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3
InChi:	InChI=1S/C15H7F4N3O2S/c16-8-7(6-4-2-1-3-5-6)9(17)11(19)12(10(8)18)20-14(23)13-15(24)22-25-21-13/h1-5H,(H,20,23)(H,22,24)
Definition date:	2017-01-16
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide

T73

T73
Name:	(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate
Formula:	C17 H22 O3
SMILES:	O=C(OC1C2(C(C(C1)CC2)(C)C)C)c3ccc(cc3)O
InChi:	InChI=1S/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14+,17+/m0/s1
Definition date:	2016-02-26
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate

759

759
Name:	(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C49 H62 Cl N9 O8 S2
SMILES:	CC1=C(SCN1)c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)COCCOCCOCCNC(=O)C[CH]4N=C(c5ccc(Cl)cc5)c6c(C)c(C)sc6n7c(C)nnc47)C(C)(C)C)cc2
InChi:	InChI=1S/C49H62ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,36-38,44,53,60H,16-27H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1
Definition date:	2016-08-26
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

7BZ

7BZ
Name:	N,N-dimethylboranamine
Formula:	C2 H8 B N
SMILES:	BN(C)C
InChi:	InChI=1S/C2H8BN/c1-4(2)3/h3H2,1-2H3
Definition date:	2016-09-30
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	N,N-dimethylboranamine

6B0

6B0
Name:	(2,3-dichlorophenyl)methanol
Formula:	C7 H6 Cl2 O
SMILES:	OCc1cccc(Cl)c1Cl
InChi:	InChI=1S/C7H6Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
Definition date:	2016-02-26
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2,3-dichlorophenyl)methanol

6BX

6BX
Name:	(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
Formula:	C7 H15 N O5 S
SMILES:	O=S(O)(CC(CN1CCOCC1)O)=O
InChi:	InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m0/s1
Definition date:	2016-03-04
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

6BY

6BY
Name:	(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
Formula:	C7 H15 N O5 S
SMILES:	OS(CC(O)CN1CCOCC1)(=O)=O
InChi:	InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1
Definition date:	2016-03-04
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

6GF

6GF
Name:	6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
Formula:	C23 H22 N6 O
SMILES:	c4(N(Cc1ncccc1)Cc2ccccn2)cc(c3ccc(OC)cc3)nc(n4)N
InChi:	InChI=1S/C23H22N6O/c1-30-20-10-8-17(9-11-20)21-14-22(28-23(24)27-21)29(15-18-6-2-4-12-25-18)16-19-7-3-5-13-26-19/h2-14H,15-16H2,1H3,(H2,24,27,28)
Definition date:	2016-04-06
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine

6GH

6GH
Name:	N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine
Formula:	C20 H18 N6 S
SMILES:	c4c(CN(c2cc(c1ccsc1)nc(n2)N)Cc3ccccn3)nccc4
InChi:	InChI=1S/C20H18N6S/c21-20-24-18(15-7-10-27-14-15)11-19(25-20)26(12-16-5-1-3-8-22-16)13-17-6-2-4-9-23-17/h1-11,14H,12-13H2,(H2,21,24,25)
Definition date:	2016-04-06
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine

6GK

6GK
Name:	6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
Formula:	C23 H22 N6 O
SMILES:	c2(cc(c1c(OC)cccc1)nc(n2)N)N(Cc3ncccc3)Cc4ncccc4
InChi:	InChI=1S/C23H22N6O/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28)
Definition date:	2016-04-06
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine

6GM

6GM
Name:	4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol
Formula:	C22 H20 N6 O
SMILES:	c1cc(ccc1c2nc(N)nc(c2)N(Cc3ccccn3)Cc4ccccn4)O
InChi:	InChI=1S/C22H20N6O/c23-22-26-20(16-7-9-19(29)10-8-16)13-21(27-22)28(14-17-5-1-3-11-24-17)15-18-6-2-4-12-25-18/h1-13,29H,14-15H2,(H2,23,26,27)
Definition date:	2016-04-06
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol

6RB

6RB
Name:	1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide
Formula:	C28 H30 N4 O3
SMILES:	COc1ccc(CN2CCc3n(CCO)nc(C(=O)NCc4ccccc4)c3C2)c5ccccc15
InChi:	InChI=1S/C28H30N4O3/c1-35-26-12-11-21(22-9-5-6-10-23(22)26)18-31-14-13-25-24(19-31)27(30-32(25)15-16-33)28(34)29-17-20-7-3-2-4-8-20/h2-12,33H,13-19H2,1H3,(H,29,34)
Definition date:	2016-06-07
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide

6RD

6RD
Name:	5-(1~{H}-indol-3-ylmethyl)-1-methyl-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide
Formula:	C28 H27 N5 O
SMILES:	Cn1nc(C(=O)NCc2cccc3ccccc23)c4CN(CCc14)Cc5c[nH]c6ccccc56
InChi:	InChI=1S/C28H27N5O/c1-32-26-13-14-33(17-21-16-29-25-12-5-4-11-23(21)25)18-24(26)27(31-32)28(34)30-15-20-9-6-8-19-7-2-3-10-22(19)20/h2-12,16,29H,13-15,17-18H2,1H3,(H,30,34)
Definition date:	2016-06-07
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	5-(1~{H}-indol-3-ylmethyl)-1-methyl-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide

6TN

6TN
Name:	[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone
Formula:	C19 H23 N3 O4
SMILES:	CCOc1ncc2CN(CCc2n1)C(=O)c3cc(C(C)C)c(O)cc3O
InChi:	InChI=1S/C19H23N3O4/c1-4-26-19-20-9-12-10-22(6-5-15(12)21-19)18(25)14-7-13(11(2)3)16(23)8-17(14)24/h7-9,11,23-24H,4-6,10H2,1-3H3
Definition date:	2016-06-22
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone

6ZE

6ZE
Name:	2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one
Formula:	C17 H18 O3
SMILES:	c32c(cc1c(c(C)oc1c2)C)C(C)=C(C(=O)O3)CCC
InChi:	InChI=1S/C17H18O3/c1-5-6-12-10(3)14-7-13-9(2)11(4)19-15(13)8-16(14)20-17(12)18/h7-8H,5-6H2,1-4H3
Definition date:	2016-07-29
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one

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