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9G5

9G5
Name:	(3~{E})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{H}-indol-2-one
Formula:	C26 H24 Cl N3 O3
SMILES:	CN1CCCN(CC1)C(=O)c2cccc(c2)c3oc(cc3)C=C4C(=O)Nc5ccc(Cl)cc45
InChi:	InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
Definition date:	2017-05-18
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	(3~{E})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{H}-indol-2-one

D21

D21
Name:	(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate
Formula:	C37 H71 O8 P
SMILES:	CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCC=C/CCCCCCCC
InChi:	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/t35-/m1/s1
Definition date:	2017-10-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate

D3D

D3D
Name:	(19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate
Formula:	C40 H77 O10 P
SMILES:	P(OCC(O)CO)(O)(OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=CCCCCCCCC)=O)=O
InChi:	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17+/t37-,38+/m1/s1
Definition date:	2017-10-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	(19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate

AY4

AY4
Name:	2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol
Formula:	C9 H6 F2 N2 O
SMILES:	n2ccc(c1cc(F)cc(c1O)F)n2
InChi:	InChI=1S/C9H6F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h1-4,14H,(H,12,13)
Definition date:	2017-07-28
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	2,4-difluoro-6-(1H-pyrazol-3-yl)phenol

FKM

FKM
Name:	N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide
Formula:	C21 H29 N3 O6 S
SMILES:	C[CH](N[S](=O)(=O)CCCOCN1C=CC(=O)NC1=O)c2cccc(OC3CCCC3)c2
InChi:	InChI=1S/C21H29N3O6S/c1-16(17-6-4-9-19(14-17)30-18-7-2-3-8-18)23-31(27,28)13-5-12-29-15-24-11-10-20(25)22-21(24)26/h4,6,9-11,14,16,18,23H,2-3,5,7-8,12-13,15H2,1H3,(H,22,25,26)/t16-/m1/s1
Definition date:	2016-11-04
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methoxy]-~{N}-[(1~{R})-1-(3-cyclopentyloxyphenyl)ethyl]propane-1-sulfonamide

ZQC

ZQC
Name:	4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
Formula:	C16 H13 N3 O S2
SMILES:	CSc1ccc(cc1)C(=O)Nc2scc(n2)c3ccccn3
InChi:	InChI=1S/C16H13N3OS2/c1-21-12-7-5-11(6-8-12)15(20)19-16-18-14(10-22-16)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,19,20)
Definition date:	2017-01-28
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

WCU

WCU
Name:	~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
Formula:	C13 H12 N2 O2
SMILES:	Nc1ccccc1Nc2ccc3OCOc3c2
InChi:	InChI=1S/C13H12N2O2/c14-10-3-1-2-4-11(10)15-9-5-6-12-13(7-9)17-8-16-12/h1-7,15H,8,14H2
Definition date:	2017-01-30
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine

YP6

YP6
Name:	2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
Formula:	C16 H12 F N3 O2 S
SMILES:	Fc1cccc(OCC(=O)Nc2scc(n2)c3ccccn3)c1
InChi:	InChI=1S/C16H12FN3O2S/c17-11-4-3-5-12(8-11)22-9-15(21)20-16-19-14(10-23-16)13-6-1-2-7-18-13/h1-8,10H,9H2,(H,19,20,21)
Definition date:	2017-01-27
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide

ZUF

ZUF
Name:	~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Formula:	C13 H9 Cl N4 S
SMILES:	Clc1ccc(Nc2scc(n2)c3ccccn3)nc1
InChi:	InChI=1S/C13H9ClN4S/c14-9-4-5-12(16-7-9)18-13-17-11(8-19-13)10-3-1-2-6-15-10/h1-8H,(H,16,17,18)
Definition date:	2017-01-27
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine

UDY

UDY
Name:	6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
Formula:	C15 H9 F N4 S2
SMILES:	Fc1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1
InChi:	InChI=1S/C15H9FN4S2/c16-9-4-5-11-13(7-9)22-15(18-11)20-14-19-12(8-21-14)10-3-1-2-6-17-10/h1-8H,(H,18,19,20)
Definition date:	2017-01-27
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

79B

79B
Name:	11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid
Formula:	C33 H34 N4 O2
SMILES:	OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5
InChi:	InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m1/s1
Definition date:	2016-09-15
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid

7A0

7A0
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C33 H45 F N8 O9 P
SMILES:	CCNc1nc(ccc1C(=O)NCCN2CCCCC2)c3ccc(NC(=O)NCc4ccc(N)[n+](c4)[CH]5O[CH](CO[P](O)(O)=O)[CH](O)[CH]5O)c(F)c3
InChi:	InChI=1S/C33H44FN8O9P/c1-2-36-30-22(31(45)37-12-15-41-13-4-3-5-14-41)8-10-24(39-30)21-7-9-25(23(34)16-21)40-33(46)38-17-20-6-11-27(35)42(18-20)32-29(44)28(43)26(51-32)19-50-52(47,48)49/h6-11,16,18,26,28-29,32,35,43-44H,2-5,12-15,17,19H2,1H3,(H6,36,37,38,39,40,45,46,47,48,49)/p+1/t26-,28-,29-,32-/m1/s1
Definition date:	2016-09-20
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

7A1

7A1
Name:	6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
Formula:	C28 H35 F N8 O2
SMILES:	CCNc1nc(ccc1C(=O)NCCN2CCCCC2)c3ccc(NC(=O)NCc4ccc(N)nc4)c(F)c3
InChi:	InChI=1S/C28H35FN8O2/c1-2-31-26-21(27(38)32-12-15-37-13-4-3-5-14-37)8-10-23(35-26)20-7-9-24(22(29)16-20)36-28(39)34-18-19-6-11-25(30)33-17-19/h6-11,16-17H,2-5,12-15,18H2,1H3,(H2,30,33)(H,31,35)(H,32,38)(H2,34,36,39)
Definition date:	2016-09-21
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

7E4

7E4
Name:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid
Formula:	C33 H34 N4 O2
SMILES:	OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5
InChi:	InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m0/s1
Definition date:	2016-10-13
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid

9TY

9TY
Name:	cyclopropane-1,1-dicarboxylic acid
Formula:	C5 H6 O4
SMILES:	C(=O)(O)C1(C(O)=O)CC1
InChi:	InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
Definition date:	2017-06-08
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	cyclopropane-1,1-dicarboxylic acid

9UB

9UB
Name:	[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid
Formula:	C29 H51 N O11 P2
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
InChi:	InChI=1S/C29H51NO11P2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-39-43(37,38)41-42(35,36)19-26-27(30-24(6)32)29(34)28(33)25(18-31)40-26/h10,12,14,16,25-29,31,33-34H,7-9,11,13,15,17-19H2,1-6H3,(H,30,32)(H,35,36)(H,37,38)/b21-12-,22-14-,23-16-/t25-,26-,27+,28-,29-/m1/s1
Definition date:	2017-07-13
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid

7KO

7KO
Name:	6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
Formula:	C16 H15 Cl N6
SMILES:	c1c(nc(nc1Cl)N)N(Cc2cccnc2)Cc3cnccc3
InChi:	InChI=1S/C16H15ClN6/c17-14-7-15(22-16(18)21-14)23(10-12-3-1-5-19-8-12)11-13-4-2-6-20-9-13/h1-9H,10-11H2,(H2,18,21,22)
Definition date:	2016-11-04
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine

N26

N26
Name:	naphthalene-2,6-diyl bis[dihydrogen (phosphate)]
Formula:	C10 H10 O8 P2
SMILES:	O(P(O)(O)=O)c2cc1ccc(cc1cc2)OP(O)(=O)O
InChi:	InChI=1S/C10H10O8P2/c11-19(12,13)17-9-3-1-7-5-10(18-20(14,15)16)4-2-8(7)6-9/h1-6H,(H2,11,12,13)(H2,14,15,16)
Definition date:	2016-10-14
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	naphthalene-2,6-diyl bis[dihydrogen (phosphate)]

9WS

9WS
Name:	N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:	C14 H10 Cl N3 O
SMILES:	c1(cnn2c1cccc2)C(Nc3c(Cl)cccc3)=O
InChi:	InChI=1S/C14H10ClN3O/c15-11-5-1-2-6-12(11)17-14(19)10-9-16-18-8-4-3-7-13(10)18/h1-9H,(H,17,19)
Definition date:	2017-06-20
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

9XA

9XA
Name:	4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine
Formula:	C23 H31 Cl N6 O3 S
SMILES:	c14n(cc(c(c1)OCCN2CCN(CC2)C)S(C(C)(C)C)(=O)=O)c(c3cc(N)nc(c3)Cl)cn4
InChi:	InChI=1S/C23H31ClN6O3S/c1-23(2,3)34(31,32)19-15-30-17(16-11-20(24)27-21(25)12-16)14-26-22(30)13-18(19)33-10-9-29-7-5-28(4)6-8-29/h11-15H,5-10H2,1-4H3,(H2,25,27)
Definition date:	2017-06-21
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine

A0Q

A0Q
Name:	5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide
Formula:	C24 H26 N4 O2
SMILES:	CN1CCN(CC1)c2ccc(OCc3ccccc3)c(c2)C(=O)Nc4cccnc4
InChi:	InChI=1S/C24H26N4O2/c1-27-12-14-28(15-13-27)21-9-10-23(30-18-19-6-3-2-4-7-19)22(16-21)24(29)26-20-8-5-11-25-17-20/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)
Definition date:	2017-08-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide

A0T

A0T
Name:	[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone
Formula:	C19 H21 F4 N5 O3
SMILES:	CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N3CCOCC3)ncc1C(F)(F)F
InChi:	InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
Definition date:	2017-08-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone

A1K

A1K
Name:	[4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone
Formula:	C19 H21 Cl N6 O3
SMILES:	CNc1nc(Nc2ccc(cc2OC)C(=O)N3CCOCC3)nc4[nH]cc(Cl)c14
InChi:	InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
Definition date:	2017-08-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone

A1N

A1N
Name:	(2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine
Formula:	C21 H25 N5 O2
SMILES:	C[CH]1CN(C[CH](C)O1)c2cc(ncn2)c3n[nH]c4ccc(OC5(C)CC5)cc34
InChi:	InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+
Definition date:	2017-08-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	(2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine

A3E

A3E
Name:	5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine
Formula:	C21 H26 N6 O
SMILES:	CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(CN4CCOCC4)cc3
InChi:	InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
Definition date:	2017-08-10
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine

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