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YU4

YU4
Name:	5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
Formula:	C23 H16 Cl F3 N4 O4
SMILES:	FC(F)(F)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O
InChi:	InChI=1S/C23H16ClF3N4O4/c24-15-6-13(7-17(9-15)35-5-3-23(25,26)27)18-8-14(19-11-29-22(34)30-20(19)32)12-31(21(18)33)16-2-1-4-28-10-16/h1-2,4,6-12H,3,5H2,(H2,29,30,32,34)
Definition date:	2021-03-31
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione

VYJ

VYJ
Name:	11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Formula:	C36 H46 N8 O3
SMILES:	C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7
InChi:	InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)
Definition date:	2020-09-21
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

J3L

J3L
Name:	(2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid
Formula:	C19 H27 N O6
SMILES:	CCCC=CC=CC(=O)[CH]1C(=O)[CH](C[C](O)(C(C)C)C(O)=O)N(C)C1=O
InChi:	InChI=1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,15,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+/t13-,15+,19-/m0/s1
Definition date:	2021-03-31
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(2~{S})-3-methyl-2-[[(2~{S},4~{R})-1-methyl-4-[(2~{E},4~{E})-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid

J86

J86
Name:	[(1S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
Formula:	C11 H13 Br N3 O5 P
SMILES:	C[CH](NCc1cc(Br)cc2NC(=O)C(=O)Nc12)[P](O)(O)=O
InChi:	InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
Definition date:	2021-04-23
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	[(1~{S})-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid

WV1

WV1
Name:	N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide
Formula:	C12 H16 N2 O
SMILES:	c2c(NC(=O)C1CC1)ccc(c2)C(C)N
InChi:	InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1
Definition date:	2020-11-17
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide

WV4

WV4
Name:	N-ethyl-2-fluoro-4-(methylsulfonyl)aniline
Formula:	C9 H12 F N O2 S
SMILES:	c1cc(NCC)c(cc1S(C)(=O)=O)F
InChi:	InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3
Definition date:	2020-11-17
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-ethyl-2-fluoro-4-(methylsulfonyl)aniline

WVD

WVD
Name:	4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
Formula:	C9 H11 N3 O2 S
SMILES:	C2NC(=O)CN(C(c1c(C)ncs1)=O)C2
InChi:	InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13)
Definition date:	2020-11-17
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one

WZM

WZM
Name:	6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
Formula:	C10 H14 N4 O
SMILES:	c1(ccc(nn1)N(C)C2CCC2)C(=O)N
InChi:	InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15)
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide

WZP

WZP
Name:	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
Formula:	C11 H22 N2 O
SMILES:	C1CN(C(C(C)C)=O)CCN1C(C)C
InChi:	InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one

WZS

WZS
Name:	1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
Formula:	C15 H22 N2 O
SMILES:	c2c(CCNC1CCN(C(C)=O)CC1)cccc2
InChi:	InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one

WZY

WZY
Name:	N-(4-methoxyphenyl)glycinamide
Formula:	C9 H12 N2 O2
SMILES:	N(c1ccc(cc1)OC)C(CN)=O
InChi:	InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-(4-methoxyphenyl)glycinamide

X0M

X0M
Name:	N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
Formula:	C11 H14 N2 O
SMILES:	c2c1CC(CNc1ccc2)NC(C)=O
InChi:	InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide

X0S

X0S
Name:	2-chloro-N-methylbenzene-1-sulfonamide
Formula:	C7 H8 Cl N O2 S
SMILES:	c1c(S(NC)(=O)=O)c(Cl)ccc1
InChi:	InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-chloro-N-methylbenzene-1-sulfonamide

X1G

X1G
Name:	N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
Formula:	C13 H17 N O3
SMILES:	c1cc(CNC(CC(C)C)=O)cc2c1OCO2
InChi:	InChI=1S/C13H17NO3/c1-9(2)5-13(15)14-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,15)
Definition date:	2020-11-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide

CLA

CLA
Name:	CHLOROPHYLL A
Formula:	C55 H72 Mg N4 O5
SMILES:	O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
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:	1999-07-08
Last modified:	2021-06-25
Identifier:	[methyl 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}phorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium

XWJ

XWJ
Name:	N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide
Formula:	C25 H25 N5 O2
SMILES:	Cc1c(NC(C)=O)cc(cc1)NC(=O)c4ccc2c(c(nn2C)c3ccc(cc3C)N)c4
InChi:	InChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32)
Definition date:	2021-01-15
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide

XWP

XWP
Name:	N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
Formula:	C32 H30 N6 O3
SMILES:	CNC(c1ccc(cc1)C(Nc2cc(ccc2C)NC(c5ccc4c(c(c3ccc(cc3C)N)nn4C)c5)=O)=O)=O
InChi:	InChI=1S/C32H30N6O3/c1-18-5-12-24(17-27(18)36-31(40)21-8-6-20(7-9-21)30(39)34-3)35-32(41)22-10-14-28-26(16-22)29(37-38(28)4)25-13-11-23(33)15-19(25)2/h5-17H,33H2,1-4H3,(H,34,39)(H,35,41)(H,36,40)
Definition date:	2021-01-17
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide

QKE

QKE
Name:	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
Formula:	C19 H22 Cl N3 O3
SMILES:	N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Cl)cc3
InChi:	InChI=1S/C19H22ClN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1
Definition date:	2020-06-22
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

HVO

HVO
Name:	1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone
Formula:	C18 H20 O3
SMILES:	CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)cc1
InChi:	InChI=1S/C18H20O3/c1-12(19)13-5-7-14(8-6-13)21-15-9-10-17(20)16(11-15)18(2,3)4/h5-11,20H,1-4H3
Synonyms:	1-[4-(3-tert-Butyl-4-hydroxyphenoxy)phenyl]ethan-1-one
Definition date:	2021-02-10
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	1-[4-(3-~{tert}-butyl-4-oxidanyl-phenoxy)phenyl]ethanone

HZC

HZC
Name:	[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine
Formula:	C11 H23 N
SMILES:	CC(C)[CH]1CC[CH](C)C[CH]1CN
InChi:	InChI=1S/C11H23N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7,12H2,1-3H3/t9-,10-,11+/m1/s1
Definition date:	2021-02-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	[(1~{S},2~{S},5~{R})-5-methyl-2-propan-2-yl-cyclohexyl]methanamine

HZL

HZL
Name:	[(2S)-3-[2-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate
Formula:	C61 H104 N O8 P
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
InChi:	InChI=1S/C61H104NO8P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43-59(63)67-52-57(70-60(64)44-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)53-69-71(65,66)68-51-50-62-49-47-55(4)41-38-40-54(3)45-46-58-56(5)42-39-48-61(58,6)7/h22-25,38,40-41,45-47,49,57H,8-21,26-37,39,42-44,48,50-53H2,1-7H3,(H,65,66)/b24-22-,25-23-,41-38+,46-45+,54-40+,55-47+,62-49+/t57-/m0/s1
Definition date:	2021-03-03
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	[(2~{S})-3-[2-[(~{E})-[(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate

7RC

7RC
Name:	(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
Formula:	C8 H17 N2 O5 P
SMILES:	OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1
InChi:	InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1
Definition date:	2021-04-23
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(2~{R})-4-(3-phosphonopropyl)piperazine-2-carboxylic acid

QV2

QV2
Name:	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
Formula:	C19 H20 N4 O2
SMILES:	O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4
InChi:	InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)
Definition date:	2020-08-13
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

QXH

QXH
Name:	~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C37 H47 Br2 N5 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cc(CN2CCN(CC2)Cc3ccc(Br)cc3)cc(CN4CCN(CC4)Cc5ccc(Br)cc5)c1
InChi:	InChI=1S/C37H47Br2N5O2/c1-3-37(4-2,28-45)36(46)40-35-22-31(26-43-17-13-41(14-18-43)24-29-5-9-33(38)10-6-29)21-32(23-35)27-44-19-15-42(16-20-44)25-30-7-11-34(39)12-8-30/h5-12,21-23,28H,3-4,13-20,24-27H2,1-2H3,(H,40,46)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide

QXK

QXK
Name:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Formula:	C29 H35 N3 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4ccccc34)c1
InChi:	InChI=1S/C29H35N3O2/c1-3-29(4-2,22-33)28(34)30-26-13-7-9-23(19-26)20-31-15-17-32(18-16-31)21-25-12-8-11-24-10-5-6-14-27(24)25/h5-14,19,22H,3-4,15-18,20-21H2,1-2H3,(H,30,34)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide

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