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L4E

L4E
Name:	geranylgeranyl dihydroxybenzoate
Formula:	C27 H38 O4
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O
InChi:	InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(27(30)31)18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+
Definition date:	2019-07-19
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	3,4-bis(oxidanyl)-5-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid

L4H

L4H
Name:	farnesyl dihydroxybenzoate
Formula:	C22 H30 O4
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O
InChi:	InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9+,17-11+
Definition date:	2019-07-19
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	3,4-bis(oxidanyl)-5-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid

K8N

K8N
Name:	(1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol
Formula:	C22 H23 Br N6 O2
SMILES:	Nc1nc2cc(CC[CH]3C[CH]([CH](O)[CH]3O)n4ccc5c(N)ncnc45)ccc2cc1Br
InChi:	InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1
Synonyms:	JNJ45031882
Definition date:	2019-05-02
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

KHC

KHC
Name:	(4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
Formula:	C17 H16 Cl2 N4 O
SMILES:	Cn1c2c(Cl)c(Cl)ccc2c3[CH](C#N)C4(CCNCC4)NC(=O)c13
InChi:	InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)/t10-/m0/s1
Definition date:	2020-04-24
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile

KM5

KM5
Name:	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate
Formula:	C23 H28 N8 O3
SMILES:	CCN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC
InChi:	InChI=1S/C23H28N8O3/c1-3-30(13-16-12-26-20-18(27-16)19(24)28-23(25)29-20)17-6-4-14(5-7-17)21(32)31-10-8-15(9-11-31)22(33)34-2/h4-7,12,15H,3,8-11,13H2,1-2H3,(H4,24,25,26,28,29)
Definition date:	2019-06-07
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate

KMK

KMK
Name:	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
Formula:	C24 H30 N8 O4
SMILES:	COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4nc(N)nc(N)c4n3
InChi:	InChI=1S/C24H30N8O4/c1-36-23(35)16-7-10-31(11-8-16)22(34)15-3-5-18(6-4-15)32(9-2-12-33)14-17-13-27-21-19(28-17)20(25)29-24(26)30-21/h3-6,13,16,33H,2,7-12,14H2,1H3,(H4,25,26,27,29,30)
Definition date:	2019-06-07
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate

KMW

KMW
Name:	3-(4-aminocarbonylphenoxy)benzamide
Formula:	C14 H12 N2 O3
SMILES:	NC(=O)c1ccc(Oc2cccc(c2)C(N)=O)cc1
InChi:	InChI=1S/C14H12N2O3/c15-13(17)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
Definition date:	2019-06-10
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	3-(4-aminocarbonylphenoxy)benzamide

KUT

KUT
Name:	KUT [2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]
Formula:	C35 H63 N3 O12
SMILES:	OC(=O)CCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(O)=O
InChi:	InChI=1S/C35H63N3O12/c39-21-24-49-26-25-47-23-20-37-33(42)29-50-28-27-48-22-19-36-31(40)18-17-30(35(45)46)38-32(41)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-34(43)44/h21,30H,1-20,22-29H2,(H,36,40)(H,37,42)(H,38,41)(H,43,44)(H,45,46)/t30-/m0/s1
Definition date:	2019-06-28
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	18-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-[2-oxidanylidene-2-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentan-2-yl]amino]-18-oxidanylidene-octadecanoic acid

KXQ

KXQ
Name:	1~{H}-indole-7-carboxylic acid
Formula:	C9 H7 N O2
SMILES:	OC(=O)c1cccc2cc[nH]c12
InChi:	InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)
Definition date:	2019-07-03
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	1~{H}-indole-7-carboxylic acid

KZ2

KZ2
Name:	1-benzothiophene-7-carboxylic acid
Formula:	C9 H6 O2 S
SMILES:	OC(=O)c1cccc2ccsc12
InChi:	InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)
Definition date:	2019-07-05
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	1-benzothiophene-7-carboxylic acid

N9W

N9W
Name:	4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide
Formula:	C20 H21 N3 O2
SMILES:	CN1CCc2n(Cc3ccc(cc3)C(=O)NO)c4ccccc4c2C1
InChi:	InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
Definition date:	2019-11-21
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide

OSZ

OSZ
Name:	5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
Formula:	C32 H41 N7 O3
SMILES:	Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)N4CCNCC4)c5ccccc5
InChi:	InChI=1S/C32H41N7O3/c33-29-27(22-36-39(29)26-9-5-2-6-10-26)31(41)35-21-24-11-14-25(15-12-24)30(40)37-28(16-13-23-7-3-1-4-8-23)32(42)38-19-17-34-18-20-38/h2,5-6,9-12,14-15,22-23,28,34H,1,3-4,7-8,13,16-21,33H2,(H,35,41)(H,37,40)/t28-/m0/s1
Definition date:	2020-04-03
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

OUQ

OUQ
Name:	(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
Formula:	C12 H16 F N O
SMILES:	CC1(C)CO[CH](CN1)c2cccc(F)c2
InChi:	InChI=1S/C12H16FNO/c1-12(2)8-15-11(7-14-12)9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine

OUW

OUW
Name:	~{N}-methyl-4-(methylamino)pyridine-2-carboxamide
Formula:	C8 H11 N3 O
SMILES:	CNC(=O)c1cc(NC)ccn1
InChi:	InChI=1S/C8H11N3O/c1-9-6-3-4-11-7(5-6)8(12)10-2/h3-5H,1-2H3,(H,9,11)(H,10,12)
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	~{N}-methyl-4-(methylamino)pyridine-2-carboxamide

OUZ

OUZ
Name:	~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
Formula:	C15 H24 N2 O
SMILES:	CCNCCN1C[CH](OC[CH]1C)c2ccccc2
InChi:	InChI=1S/C15H24N2O/c1-3-16-9-10-17-11-15(18-12-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3/t13-,15-/m1/s1
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine

OW8

OW8
Name:	~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:	C8 H11 N3 O
SMILES:	CNC(=O)c1n[nH]c2CCCc12
InChi:	InChI=1S/C8H11N3O/c1-9-8(12)7-5-3-2-4-6(5)10-11-7/h2-4H2,1H3,(H,9,12)(H,10,11)
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

OWZ

OWZ
Name:	(2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine
Formula:	C11 H14 Cl N O
SMILES:	C[CH]1CO[CH](CN1)c2ccccc2Cl
InChi:	InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine

OXB

OXB
Name:	3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide
Formula:	C16 H26 N2 O3 S
SMILES:	C[CH]1CO[CH](CN1CCC[S](N)(=O)=O)c2cc(C)ccc2C
InChi:	InChI=1S/C16H26N2O3S/c1-12-5-6-13(2)15(9-12)16-10-18(14(3)11-21-16)7-4-8-22(17,19)20/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3,(H2,17,19,20)/t14-,16-/m0/s1
Definition date:	2020-04-07
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide

P0N

P0N
Name:	(2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine
Formula:	C12 H16 Cl N O
SMILES:	CC1(C)CO[CH](CN1)c2ccccc2Cl
InChi:	InChI=1S/C12H16ClNO/c1-12(2)8-15-11(7-14-12)9-5-3-4-6-10(9)13/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine

P0Q

P0Q
Name:	(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine
Formula:	C13 H18 Cl N O
SMILES:	C[CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2
InChi:	InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3/t9-,12+/m1/s1
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine

P0Z

P0Z
Name:	3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide
Formula:	C17 H25 N3 O3
SMILES:	CNC(=O)NC(=O)CCN1C[CH](OCC1(C)C)c2ccccc2
InChi:	InChI=1S/C17H25N3O3/c1-17(2)12-23-14(13-7-5-4-6-8-13)11-20(17)10-9-15(21)19-16(22)18-3/h4-8,14H,9-12H2,1-3H3,(H2,18,19,21,22)/t14-/m0/s1
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide

P1Q

P1Q
Name:	1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol
Formula:	C15 H22 Cl N O3
SMILES:	COCC(O)CN1C[CH](OC[CH]1C)c2cccc(Cl)c2
InChi:	InChI=1S/C15H22ClNO3/c1-11-9-20-15(12-4-3-5-13(16)6-12)8-17(11)7-14(18)10-19-2/h3-6,11,14-15,18H,7-10H2,1-2H3/t11-,14?,15-/m0/s1
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol

F1R

F1R
Name:	N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
Formula:	C21 H23 Cl N8 O
SMILES:	COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc4nc(N)nc(N)n4)c2c1
InChi:	InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)
Definition date:	2020-03-12
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	~{N}4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine

F7C

F7C
Name:	(2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid
Formula:	C4 H4 O6
SMILES:	O[CH](C(O)=O)C(=O)C(O)=O
InChi:	InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)/t1-/m0/s1
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid

F7F

F7F
Name:	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Formula:	C17 H21 N4 O10 P
SMILES:	Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34ON4c2cc1C
InChi:	InChI=1S/C17H21N4O10P/c1-7-3-9-10(4-8(7)2)21-17(31-21)14(18-16(26)19-15(17)25)20(9)5-11(22)13(24)12(23)6-30-32(27,28)29/h3-4,11-13,22-24H,5-6H2,1-2H3,(H,19,25,26)(H2,27,28,29)/t11-,12+,13-,17+,21+/m1/s1
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15

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