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8DJ

8DJ
Name:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide
Formula:	C26 H26 F N3 O4
SMILES:	O=C(c1c(ccc(c1)C2CCNCC2COc3ccc4c(c3)OCO4)F)NCc5ncccc5
InChi:	InChI=1S/C26H26FN3O4/c27-23-6-4-17(11-22(23)26(31)30-14-19-3-1-2-9-29-19)21-8-10-28-13-18(21)15-32-20-5-7-24-25(12-20)34-16-33-24/h1-7,9,11-12,18,21,28H,8,10,13-16H2,(H,30,31)/t18-,21-/m0/s1
Definition date:	2017-01-24
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide

8FB

8FB
Name:	(3~{S},4~{R},5~{S})-5-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid
Formula:	C17 H29 N3 O6 S
SMILES:	C[CH](O)[CH]([CH]1N[CH]([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O)C(O)=O
InChi:	InChI=1S/C17H29N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-14,18-19,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-,13-,14+/m1/s1
Definition date:	2017-02-03
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	(3~{S},4~{R},5~{S})-5-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid

8WV

8WV
Name:	dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium
Formula:	C10 H10 Cl2 Os
SMILES:	CC(C6=5C=1[Os]4326(Cl)(C=1C2(C)=C3C4=5)Cl)C
InChi:	InChI=1S/C10H10.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10
Definition date:	2017-03-14
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium

XHA

XHA
Name:	2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide
Formula:	C18 H25 F3 N2 O4
SMILES:	CNC(=O)C[CH]1[CH](O)[CH](O)[CH](CO)N1CCCc2cccc(c2)C(F)(F)F
InChi:	InChI=1S/C18H25F3N2O4/c1-22-15(25)9-13-16(26)17(27)14(10-24)23(13)7-3-5-11-4-2-6-12(8-11)18(19,20)21/h2,4,6,8,13-14,16-17,24,26-27H,3,5,7,9-10H2,1H3,(H,22,25)/t13-,14-,16+,17-/m1/s1
Definition date:	2016-10-28
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide

JNI

JNI
Name:	~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine
Formula:	C31 H30 N8
SMILES:	Nc1nccc(n1)N(Cc2ccccc2)c3ccccc3c4cccc(c4)c5cnc(nc5)N6CCNCC6
InChi:	InChI=1S/C31H30N8/c32-30-34-14-13-29(37-30)39(22-23-7-2-1-3-8-23)28-12-5-4-11-27(28)25-10-6-9-24(19-25)26-20-35-31(36-21-26)38-17-15-33-16-18-38/h1-14,19-21,33H,15-18,22H2,(H2,32,34,37)
Definition date:	2017-01-12
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine

P60

P60
Name:	5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid
Formula:	C10 H6 F N O3
SMILES:	c1cc(c(cc1)F)c2c(C(O)=O)nco2
InChi:	InChI=1S/C10H6FNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
Definition date:	2016-03-17
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid

UUN

UUN
Name:	N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Formula:	C12 H11 N3 O3 S
SMILES:	C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(NO)=O
InChi:	InChI=1S/C12H11N3O3S/c16-10-6-9(8-4-2-1-3-5-8)13-12(14-10)19-7-11(17)15-18/h1-6,18H,7H2,(H,15,17)(H,13,14,16)
Definition date:	2016-03-16
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide

FIG

FIG
Name:	6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid
Formula:	C13 H10 N2 O4 S
SMILES:	C(SC1=NC=C(C(O)=O)C(N1)=O)C(=O)c2ccccc2
InChi:	InChI=1S/C13H10N2O4S/c16-10(8-4-2-1-3-5-8)7-20-13-14-6-9(12(18)19)11(17)15-13/h1-6H,7H2,(H,18,19)(H,14,15,17)
Definition date:	2016-03-17
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid

H0X

H0X
Name:	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile
Formula:	C12 H9 N3 O S
SMILES:	C(C#N)SC=2NC(C=C(c1ccccc1)N=2)=O
InChi:	InChI=1S/C12H9N3OS/c13-6-7-17-12-14-10(8-11(16)15-12)9-4-2-1-3-5-9/h1-5,8H,7H2,(H,14,15,16)
Definition date:	2016-03-16
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile

3Y7

3Y7
Name:	7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
Formula:	C10 H12 N4 O2
SMILES:	n1onc2c(ccc(c12)N)N3CCOCC3
InChi:	InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2
Definition date:	2014-12-10
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine

5KN

5KN
Name:	2,4-di(morpholin-4-yl)aniline
Formula:	C14 H21 N3 O2
SMILES:	c1c(N)c(cc(c1)N2CCOCC2)N3CCOCC3
InChi:	InChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2
Definition date:	2015-10-13
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	2,4-di(morpholin-4-yl)aniline

6C4

6C4
Name:	N-(cyclopentylmethyl)cyclopentanecarboxamide
Formula:	C12 H21 N O
SMILES:	C2(C(=O)NCC1CCCC1)CCCC2
InChi:	InChI=1S/C12H21NO/c14-12(11-7-3-4-8-11)13-9-10-5-1-2-6-10/h10-11H,1-9H2,(H,13,14)
Definition date:	2016-03-09
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	N-(cyclopentylmethyl)cyclopentanecarboxamide

6C5

6C5
Name:	N-(cyclopentylmethyl)pyrrolidine-1-carboxamide
Formula:	C11 H20 N2 O
SMILES:	C1CCCN1C(NCC2CCCC2)=O
InChi:	InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)12-9-10-5-1-2-6-10/h10H,1-9H2,(H,12,14)
Definition date:	2016-03-09
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	N-(cyclopentylmethyl)pyrrolidine-1-carboxamide

6C8

6C8
Name:	(2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
Formula:	C11 H13 N O2
SMILES:	O=C(C=Cc1cocc1)N2CCCC2
InChi:	InChI=1S/C11H13NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h3-5,8-9H,1-2,6-7H2/b4-3+
Definition date:	2016-03-09
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one

6C9

6C9
Name:	N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide
Formula:	C10 H18 N2 O2
SMILES:	O=C(N1CCCC1)NCC2CCOC2
InChi:	InChI=1S/C10H18N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h9H,1-8H2,(H,11,13)/t9-/m0/s1
Definition date:	2016-03-09
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide

6CC

6CC
Name:	5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide
Formula:	C9 H8 Cl N3 O2 S2
SMILES:	c2c(c1cc(c(Cl)cc1)S(=O)(=O)N)nc(N)s2
InChi:	InChI=1S/C9H8ClN3O2S2/c10-6-2-1-5(3-8(6)17(12,14)15)7-4-16-9(11)13-7/h1-4H,(H2,11,13)(H2,12,14,15)
Definition date:	2016-03-10
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide

6CX

6CX
Name:	5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine
Formula:	C18 H25 N9 O5
SMILES:	c2nc1n(cnc1c(n2)N)C4C(C(C(CN(Cc3cncn3)CCC(C(O)=O)N)O4)O)O
InChi:	InChI=1S/C18H25N9O5/c19-10(18(30)31)1-2-26(4-9-3-21-6-22-9)5-11-13(28)14(29)17(32-11)27-8-25-12-15(20)23-7-24-16(12)27/h3,6-8,10-11,13-14,17,28-29H,1-2,4-5,19H2,(H,21,22)(H,30,31)(H2,20,23,24)/t10-,11+,13+,14+,17+/m0/s1
Definition date:	2016-03-15
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine

6E1

6E1
Name:	3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside
Formula:	C28 H28 F8 N2 O12 S
SMILES:	c4(c(OC)c(F)c(c(C(NC3C(C(SC2C(C(NC(c1c(F)c(c(OC)c(F)c1F)F)=O)C(O)C(O2)CO)O)OC(C3O)CO)O)=O)c4F)F)F
InChi:	InChI=1S/C28H28F8N2O12S/c1-47-23-13(33)9(29)7(10(30)14(23)34)25(45)37-17-19(41)5(3-39)49-27(21(17)43)51-28-22(44)18(20(42)6(4-40)50-28)38-26(46)8-11(31)15(35)24(48-2)16(36)12(8)32/h5-6,17-22,27-28,39-44H,3-4H2,1-2H3,(H,37,45)(H,38,46)/t5-,6-,17+,18+,19+,20+,21-,22-,27+,28+/m1/s1
Definition date:	2016-03-18
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside

6FG

6FG
Name:	3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
Formula:	C11 H15 N O2
SMILES:	O=C(N1CCCC1)CCc2ccoc2
InChi:	InChI=1S/C11H15NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h5,8-9H,1-4,6-7H2
Definition date:	2016-03-30
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one

6FR

6FR
Name:	1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine
Formula:	C11 H21 N O2 S
SMILES:	O=S(CCC1CCCC1)(=O)N2CCCC2
InChi:	InChI=1S/C11H21NO2S/c13-15(14,12-8-3-4-9-12)10-7-11-5-1-2-6-11/h11H,1-10H2
Definition date:	2016-03-31
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine

6LE

6LE
Name:	(1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol
Formula:	C8 H10 Cl N O
SMILES:	c1c(ccc(c1)C(CN)O)Cl
InChi:	InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1
Definition date:	2016-04-30
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol

6LJ

6LJ
Name:	2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile
Formula:	C24 H26 N4
SMILES:	C1CCN(CC1)CCCNc4c2c(cccc2)nc(c3ccccc3C#N)c4
InChi:	InChI=1S/C24H26N4/c25-18-19-9-2-3-10-20(19)24-17-23(21-11-4-5-12-22(21)27-24)26-13-8-16-28-14-6-1-7-15-28/h2-5,9-12,17H,1,6-8,13-16H2,(H,26,27)
Definition date:	2016-05-02
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile

6LY

6LY
Name:	(1S)-2-amino-1-(4-bromophenyl)ethan-1-ol
Formula:	C8 H10 Br N O
SMILES:	c1cc(ccc1Br)C(CN)O
InChi:	InChI=1S/C8H10BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1
Definition date:	2016-05-03
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(1S)-2-amino-1-(4-bromophenyl)ethan-1-ol

6LZ

6LZ
Name:	2-amino-1-(4-fluorophenyl)ethan-1-one
Formula:	C8 H8 F N O
SMILES:	c1c(F)ccc(c1)C(=O)CN
InChi:	InChI=1S/C8H8FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
Definition date:	2016-05-03
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	2-amino-1-(4-fluorophenyl)ethan-1-one

6PX

6PX
Name:	methyl N-[4-amino-3-(L-arginylamino)benzene-1-carbonyl]-L-tyrosinate
Formula:	C23 H31 N7 O5
SMILES:	C(CCCNC(N)=N)(C(Nc1c(N)ccc(c1)C(NC(C(=O)OC)Cc2ccc(cc2)O)=O)=O)N
InChi:	InChI=1S/C23H31N7O5/c1-35-22(34)19(11-13-4-7-15(31)8-5-13)30-20(32)14-6-9-16(24)18(12-14)29-21(33)17(25)3-2-10-28-23(26)27/h4-9,12,17,19,31H,2-3,10-11,24-25H2,1H3,(H,29,33)(H,30,32)(H4,26,27,28)/t17-,19-/m0/s1
Definition date:	2016-05-19
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	methyl N-[4-amino-3-(L-arginylamino)benzene-1-carbonyl]-L-tyrosinate

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