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GOY

GOY
Name:	di(piperidin-1-yl)methanone
Formula:	C11 H20 N2 O
SMILES:	O=C(N1CCCCC1)N2CCCCC2
InChi:	InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	di(piperidin-1-yl)methanone

GQ7

GQ7
Name:	[5-(4-aminophenyl)furan-2-yl]methanol
Formula:	C11 H11 N O2
SMILES:	Nc1ccc(cc1)c2oc(CO)cc2
InChi:	InChI=1S/C11H11NO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7,12H2
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	[5-(4-aminophenyl)furan-2-yl]methanol

GQA

GQA
Name:	1-methyl-3-oxidanyl-pyridine-2-thione
Formula:	C6 H7 N O S
SMILES:	CN1C=CC=C(O)C1=S
InChi:	InChI=1S/C6H7NOS/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	1-methyl-3-oxidanyl-pyridine-2-thione

GQJ

GQJ
Name:	methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Formula:	C11 H13 N O5
SMILES:	COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
InChi:	InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8+/m1/s1
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

GQM

GQM
Name:	5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol
Formula:	C10 H10 N2 O2
SMILES:	COc1ccc(c(O)c1)c2cc[nH]n2
InChi:	InChI=1S/C10H10N2O2/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12)
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol

GQS

GQS
Name:	N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
Formula:	C9 H8 F N3 S
SMILES:	n2nc(Nc1cccc(c1)F)sc2C
InChi:	InChI=1S/C9H8FN3S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,11,13)
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine

GQV

GQV
Name:	1-methyl-3-oxidanyl-pyridin-2-one
Formula:	C6 H7 N O2
SMILES:	CN1C=CC=C(O)C1=O
InChi:	InChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	1-methyl-3-oxidanyl-pyridin-2-one

L5P

L5P
Name:	(2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
Formula:	C11 H23 N2 O9 P
SMILES:	NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O
InChi:	InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1
Definition date:	2014-11-17
Last modified:	2018-12-10
Release date:	2015-01-14
Identifier:	(2S)-2-amino-6-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}hexanoic acid (non-preferred name)

VOH

VOH
Name:	Veratryl alcohol
Formula:	C9 H12 O3
SMILES:	COc1ccc(CO)cc1OC
InChi:	InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
Definition date:	2017-09-27
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	(3,4-dimethoxyphenyl)methanol

K9J

K9J
Name:	1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Formula:	C29 H38 N6 O3
SMILES:	c5c(N3Cc1c(c(nc(OC(CN(C)C)C)n1)N2CCN(CC2)C(=O)CC)CC3)c4ccccc4cc5O
InChi:	InChI=1S/C29H38N6O3/c1-5-27(37)33-12-14-34(15-13-33)28-24-10-11-35(26-17-22(36)16-21-8-6-7-9-23(21)26)19-25(24)30-29(31-28)38-20(2)18-32(3)4/h6-9,16-17,20,36H,5,10-15,18-19H2,1-4H3/t20-/m1/s1
Definition date:	2018-11-14
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one

K9M

K9M
Name:	1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Formula:	C24 H27 N5 O
SMILES:	c5c(N2Cc3ncnc(N1CCN(CC1)C(=O)CC)c3CC2)c4ccccc4cc5
InChi:	InChI=1S/C24H27N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h3-9,17H,2,10-16H2,1H3
Definition date:	2018-11-14
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one

L76

L76
Name:	1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine
Formula:	C26 H28 F7 N5 O2
SMILES:	Fc1ccc(cc1)C2N(CCOC2OC(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc4c(CN(C)C)nnn4
InChi:	InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1
Definition date:	2018-07-20
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine

KFD

KFD
Name:	N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
Formula:	C29 H29 N7 O3
SMILES:	C1CCCCN1c4cc3oc(N2CCOCC2)nc3cc4NC(=O)c5nc(ccc5)c7cc6ccnc6nc7
InChi:	InChI=1S/C29H29N7O3/c37-28(22-6-4-5-21(32-22)20-15-19-7-8-30-27(19)31-18-20)33-23-16-24-26(17-25(23)35-9-2-1-3-10-35)39-29(34-24)36-11-13-38-14-12-36/h4-8,15-18H,1-3,9-14H2,(H,30,31)(H,33,37)
Definition date:	2018-11-30
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

KGV

KGV
Name:	3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
Formula:	C19 H24 N7 O7 P
SMILES:	c1nc2c(c(n1)N)ncn2C4C(C(NC(=O)C(Cc3ccccc3)N)C(O4)COP(O)(O)=O)O
InChi:	InChI=1S/C19H24N7O7P/c20-11(6-10-4-2-1-3-5-10)18(28)25-13-12(7-32-34(29,30)31)33-19(15(13)27)26-9-24-14-16(21)22-8-23-17(14)26/h1-5,8-9,11-13,15,19,27H,6-7,20H2,(H,25,28)(H2,21,22,23)(H2,29,30,31)/t11-,12-,13-,15-,19-/m1/s1
Definition date:	2018-12-04
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)

SJ5

SJ5
Name:	(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid
Formula:	C6 H11 N O4
SMILES:	C1NCC(C(O)=O)C(C1O)O
InChi:	InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1
Definition date:	2017-12-27
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid

HX3

HX3
Name:	(3,4-dichlorophenyl)hydrazine
Formula:	C6 H6 Cl2 N2
SMILES:	c1(Cl)c(Cl)ccc(c1)NN
InChi:	InChI=1S/C6H6Cl2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2
Definition date:	2018-02-06
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	(3,4-dichlorophenyl)hydrazine

HX4

HX4
Name:	5-phenyl-1H-pyrazol-3-amine
Formula:	C9 H9 N3
SMILES:	c2cccc(c1nnc(N)c1)c2
InChi:	InChI=1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
Definition date:	2018-02-06
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	5-phenyl-1H-pyrazol-3-amine

HX5

HX5
Name:	4,6-dichloro-2-(methylsulfanyl)pyrimidine
Formula:	C5 H4 Cl2 N2 S
SMILES:	c1c(Cl)nc(nc1Cl)SC
InChi:	InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
Definition date:	2018-02-06
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	4,6-dichloro-2-(methylsulfanyl)pyrimidine

HX8

HX8
Name:	4-phenoxyphenol
Formula:	C12 H10 O2
SMILES:	c2cccc(Oc1ccc(cc1)O)c2
InChi:	InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
Definition date:	2018-01-19
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	4-phenoxyphenol

IU1

IU1
Name:	1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one
Formula:	C18 H21 F N2 O
SMILES:	O=C(c1c(n(c(c1)C)c2ccc(cc2)F)C)CN3CCCC3
InChi:	InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3
Definition date:	2018-10-19
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one

9P6

9P6
Name:	2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide
Formula:	C25 H32 N4 O3 S
SMILES:	COc1ccc(cc1)c2n(ncc2c3scc(CC(=O)NCC4CCOCC4)n3)C(C)(C)C
InChi:	InChI=1S/C25H32N4O3S/c1-25(2,3)29-23(18-5-7-20(31-4)8-6-18)21(15-27-29)24-28-19(16-33-24)13-22(30)26-14-17-9-11-32-12-10-17/h5-8,15-17H,9-14H2,1-4H3,(H,26,30)
Definition date:	2018-06-17
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide

9RQ

9RQ
Name:	[2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid
Formula:	C18 H17 O8 P S
SMILES:	C[CH](c1ccccc1)[P](O)(=O)Oc2ccc3C(=CC(=O)Oc3c2)C[S](O)(=O)=O
InChi:	InChI=1S/C18H17O8PS/c1-12(13-5-3-2-4-6-13)27(20,21)26-15-7-8-16-14(11-28(22,23)24)9-18(19)25-17(16)10-15/h2-10,12H,11H2,1H3,(H,20,21)(H,22,23,24)/t12-/m0/s1
Definition date:	2017-07-04
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	[2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid

9RW

9RW
Name:	(2~{S})-2-phenylpropanoic acid
Formula:	C9 H10 O2
SMILES:	C[CH](C(O)=O)c1ccccc1
InChi:	InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
Definition date:	2017-07-05
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	(2~{S})-2-phenylpropanoic acid

A8F

A8F
Name:	1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one
Formula:	C19 H23 Cl N2 O
SMILES:	O=C(c1c(n(c(c1)C)c2ccc(cc2)Cl)C)CN3CCCCC3
InChi:	InChI=1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3
Definition date:	2018-10-19
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one

A8L

A8L
Name:	1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one
Formula:	C19 H23 Cl N2 O2
SMILES:	c1c(ccc(c1)n3c(C)cc(C(=O)CN2CCC(CC2)O)c3C)Cl
InChi:	InChI=1S/C19H23ClN2O2/c1-13-11-18(19(24)12-21-9-7-17(23)8-10-21)14(2)22(13)16-5-3-15(20)4-6-16/h3-6,11,17,23H,7-10,12H2,1-2H3
Definition date:	2018-10-19
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one

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