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2KV

2KV
Name:	1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
Formula:	C18 H25 Cl N2 O
SMILES:	Clc1cccc(c1)C3(CCC(N2C(=O)CCCC2)CC3)CN
InChi:	InChI=1S/C18H25ClN2O/c19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h3-5,12,16H,1-2,6-11,13,20H2/t16-,18-
Definition date:	2013-11-20
Last modified:	2014-02-07
Release date:	2014-02-12
Identifier:	1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one

2MJ

2MJ
Name:	(2R,3S)-3-amino-5-methylhexane-1,2-diol
Formula:	C7 H17 N O2
SMILES:	OCC(O)C(N)CC(C)C
InChi:	InChI=1S/C7H17NO2/c1-5(2)3-6(8)7(10)4-9/h5-7,9-10H,3-4,8H2,1-2H3/t6-,7-/m0/s1
Definition date:	2013-12-04
Last modified:	2014-02-07
Release date:	2014-02-12
Identifier:	(2R,3S)-3-amino-5-methylhexane-1,2-diol

2OL

2OL
Name:	1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol
Formula:	C22 H26 N6 O2
SMILES:	OC4(C#Cc1ccc2nc(NCCOC)n(c2c1)c3nc(ncc3)N)CCCCC4
InChi:	InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
Definition date:	2013-12-17
Last modified:	2014-02-07
Release date:	2014-02-12
Identifier:	1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol

2OO

2OO
Name:	4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol
Formula:	C17 H19 N7 O
SMILES:	n2c1ccc(C#CC(O)(C)C)cc1n(c2NCC)c3ncnc(n3)N
InChi:	InChI=1S/C17H19N7O/c1-4-19-15-22-12-6-5-11(7-8-17(2,3)25)9-13(12)24(15)16-21-10-20-14(18)23-16/h5-6,9-10,25H,4H2,1-3H3,(H,19,22)(H2,18,20,21,23)
Definition date:	2013-12-17
Last modified:	2014-02-07
Release date:	2014-02-12
Identifier:	4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol

2OQ

2OQ
Name:	1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol
Formula:	C19 H20 N6 O
SMILES:	n3c2ccc(C#CC1(O)CCCCC1)cc2n(c3C)c4ncnc(n4)N
InChi:	InChI=1S/C19H20N6O/c1-13-23-15-6-5-14(7-10-19(26)8-3-2-4-9-19)11-16(15)25(13)18-22-12-21-17(20)24-18/h5-6,11-12,26H,2-4,8-9H2,1H3,(H2,20,21,22,24)
Definition date:	2013-12-17
Last modified:	2014-02-07
Release date:	2014-02-12
Identifier:	1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol

FTM

FTM
Name:	2-fluoroacetamide
Formula:	C2 H4 F N O
SMILES:	FCC(=O)N
InChi:	InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)
Definition date:	2013-02-04
Last modified:	2014-02-07
Release date:	2014-02-12
Identifier:	2-fluoroacetamide

YGP

YGP
Name:	5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine
Formula:	C17 H21 N6 O9 P
SMILES:	O=C4NC(=CC(OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)=C4C)C
InChi:	InChI=1S/C17H21N6O9P/c1-6-3-8(7(2)14(26)20-6)32-33(28,29)30-4-9-11(24)12(25)16(31-9)23-5-19-10-13(23)21-17(18)22-15(10)27/h3,5,9,11-12,16,24-25H,4H2,1-2H3,(H,20,26)(H,28,29)(H3,18,21,22,27)/t9-,11-,12-,16-/m1/s1
Definition date:	2013-05-30
Last modified:	2014-01-31
Release date:	2014-02-05
Identifier:	5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine

T2B

T2B
Name:	4-{4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol
Formula:	C15 H15 I2 N O3
SMILES:	Ic2cc(cc(I)c2Oc1ccc(O)cc1)CC(N)CO
InChi:	InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1
Definition date:	2013-09-03
Last modified:	2014-01-31
Release date:	2014-02-05
Identifier:	4-{4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol

N13

N13
Name:	2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide
Formula:	C25 H18 F N7 O
SMILES:	Fc1cccc(c1)NC(=O)Cc2cc(nn2)c6cc5nnc(c4nc3ccccc3n4)c5cc6
InChi:	InChI=1S/C25H18FN7O/c26-15-4-3-5-16(11-15)27-23(34)13-17-12-21(31-30-17)14-8-9-18-22(10-14)32-33-24(18)25-28-19-6-1-2-7-20(19)29-25/h1-12H,13H2,(H,27,34)(H,28,29)(H,30,31)(H,32,33)
Definition date:	2012-11-20
Last modified:	2014-01-31
Release date:	2014-02-05
Identifier:	2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide

N15

N15
Name:	2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide
Formula:	C24 H25 N7 O
SMILES:	O=C(NCCC(C)C)Cn5ncc(c1ccc2c(c1)nnc2c4nc3ccccc3n4)c5
InChi:	InChI=1S/C24H25N7O/c1-15(2)9-10-25-22(32)14-31-13-17(12-26-31)16-7-8-18-21(11-16)29-30-23(18)24-27-19-5-3-4-6-20(19)28-24/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,25,32)(H,27,28)(H,29,30)
Definition date:	2012-12-14
Last modified:	2014-01-31
Release date:	2014-02-05
Identifier:	2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide

RO9

RO9
Name:	1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine
Formula:	C20 H18 N4 O
SMILES:	n2c(c1cccc(OC)c1)c4c(cc2Nc3nnc(c3)C)cccc4
InChi:	InChI=1S/C20H18N4O/c1-13-10-19(24-23-13)21-18-12-14-6-3-4-9-17(14)20(22-18)15-7-5-8-16(11-15)25-2/h3-12H,1-2H3,(H2,21,22,23,24)
Definition date:	2013-06-09
Last modified:	2014-01-31
Release date:	2014-02-05
Identifier:	1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine

CL0

CL0
Name:	CHLOROPHYLL A ISOMER
Formula:	C55 H72 Mg N4 O5
SMILES:	CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
InChi:	InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42
Definition date:	2013-12-13
Last modified:	2014-01-31
Release date:	2014-02-05

6K6

6K6
Name:	N-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)
Formula:	C15 H18 N5 O8 P
SMILES:	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NCc3occc3)C(O)C4O
InChi:	InChI=1S/C15H18N5O8P/c21-11-9(5-27-29(23,24)25)28-15(12(11)22)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-26-8/h1-3,6-7,9,11-12,15,21-22H,4-5H2,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1
Definition date:	2013-06-10
Last modified:	2014-01-31
Release date:	2014-02-05
Identifier:	N-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)

29O

29O
Name:	N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)
Formula:	C12 H12 Br3 N3 O3
SMILES:	O=C(Nc1cc(cc(c1)NC(=O)CBr)NC(=O)CBr)CBr
InChi:	InChI=1S/C12H12Br3N3O3/c13-4-10(19)16-7-1-8(17-11(20)5-14)3-9(2-7)18-12(21)6-15/h1-3H,4-6H2,(H,16,19)(H,17,20)(H,18,21)
Definition date:	2013-09-12
Last modified:	2014-01-31
Release date:	2014-02-05
Identifier:	N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)

D3C

D3C
Name:	N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Formula:	C19 H20 F6 N4 O
SMILES:	Fc1cc(c(F)cc1F)CC(N)CCNC(=O)N3Cc2ccc(n2CC3)C(F)(F)F
InChi:	InChI=1S/C19H20F6N4O/c20-14-9-16(22)15(21)8-11(14)7-12(26)3-4-27-18(30)28-5-6-29-13(10-28)1-2-17(29)19(23,24)25/h1-2,8-9,12H,3-7,10,26H2,(H,27,30)/t12-/m0/s1
Definition date:	2013-02-08
Last modified:	2014-01-31
Release date:	2014-02-05
Identifier:	N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide

A1P

A1P
Name:	9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-BETA-L-ERYTHRO-PENTOFURANOSYL}-9H-PURIN-2-AMINE
Formula:	C10 H14 N5 O5 P
SMILES:	O=P(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O
InChi:	InChI=1S/C10H14N5O5P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(20-8)3-19-21(17)18/h2,4,6-8,16,21H,1,3H2,(H,17,18)(H2,11,12,14)/t6-,7+,8+/m0/s1
Definition date:	2005-11-25
Last modified:	2014-01-27
Identifier:	9-{2-deoxy-5-O-[(S)-hydroxy(oxido)phosphanyl]-beta-D-erythro-pentofuranosyl}-9H-purin-2-amine

WHA

WHA
Name:	4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide
Formula:	C19 H18 Cl N5 O2 S
SMILES:	O=C(N)CCCSc1nc(nc(n1)c3c2cccc4c2c(cc3Cl)COC4)N
InChi:	InChI=1S/C19H18ClN5O2S/c20-13-7-11-9-27-8-10-3-1-4-12(15(10)11)16(13)17-23-18(22)25-19(24-17)28-6-2-5-14(21)26/h1,3-4,7H,2,5-6,8-9H2,(H2,21,26)(H2,22,23,24,25)
Definition date:	2013-08-28
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide

Z18

Z18
Name:	(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate
Formula:	C21 H35 N O5
SMILES:	O=C1OC(C(C=CC(=O)C(CC(C)C(OC(=O)CN(C)C)C1C)C)C)CC
InChi:	InChI=1S/C21H35NO5/c1-8-18-13(2)9-10-17(23)14(3)11-15(4)20(16(5)21(25)26-18)27-19(24)12-22(6)7/h9-10,13-16,18,20H,8,11-12H2,1-7H3/b10-9+/t13-,14-,15+,16-,18-,20+/m1/s1
Definition date:	2013-01-22
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate

1DD

1DD
Name:	1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
Formula:	C14 H11 F N2 O2 S
SMILES:	Fc1ccc(cc1)S(=O)(=O)n2c3ccccc3nc2C
InChi:	InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3
Definition date:	2013-06-20
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole

1ES

1ES
Name:	2-(1-methyl-1H-indol-3-yl)ethanamine
Formula:	C11 H14 N2
SMILES:	c1cccc2c1c(cn2C)CCN
InChi:	InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
Definition date:	2013-01-08
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	2-(1-methyl-1H-indol-3-yl)ethanamine

1HU

1HU
Name:	2-(1H-indol-3-yl)-N-methylethanamine
Formula:	C11 H14 N2
SMILES:	c1cccc2c1c(cn2)CCNC
InChi:	InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
Definition date:	2013-02-07
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	2-(1H-indol-3-yl)-N-methylethanamine

1HV

1HV
Name:	4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide
Formula:	C25 H25 N5 O2
SMILES:	O=C(NCCCN)c4ccc(c2nn(c1ccccc12)c3ccc(C(=O)NC)cc3)cc4
InChi:	InChI=1S/C25H25N5O2/c1-27-24(31)18-11-13-20(14-12-18)30-22-6-3-2-5-21(22)23(29-30)17-7-9-19(10-8-17)25(32)28-16-4-15-26/h2-3,5-14H,4,15-16,26H2,1H3,(H,27,31)(H,28,32)
Definition date:	2013-02-08
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide

LSJ

LSJ
Name:	N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
Formula:	C25 H25 N O4 S
SMILES:	O=S(=O)(Nc1cccc(c1)/C(=C2/c4c(OCc3c2c(OC)ccc3)cccc4)CC)C
InChi:	InChI=1S/C25H25NO4S/c1-4-20(17-9-7-11-19(15-17)26-31(3,27)28)25-21-12-5-6-13-22(21)30-16-18-10-8-14-23(29-2)24(18)25/h5-15,26H,4,16H2,1-3H3/b25-20-
Definition date:	2013-08-14
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide

2JM

2JM
Name:	2-bromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
Formula:	C10 H5 Br4 N O
SMILES:	Brc2c(c1cccc(Br)c1O)nc(Br)c2Br
InChi:	InChI=1S/C10H5Br4NO/c11-5-3-1-2-4(9(5)16)8-6(12)7(13)10(14)15-8/h1-3,15-16H
Definition date:	2013-11-01
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	2-bromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol

2O3

2O3
Name:	(3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
Formula:	C22 H26 N4 O2
SMILES:	O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3ccccc3CCC4
InChi:	InChI=1S/C22H26N4O2/c1-15-21(27)25-18-10-4-9-17(20(18)24-15)22(28)23-12-6-14-26-13-5-8-16-7-2-3-11-19(16)26/h2-4,7,9-11,15,24H,5-6,8,12-14H2,1H3,(H,23,28)(H,25,27)/t15-/m1/s1
Definition date:	2013-12-12
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	(3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

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223532

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