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UH1

UH1
Name:	2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide
Formula:	C14 H11 N3 O
SMILES:	N(C(Cc1cc(ccc1)C#N)=O)c2cccnc2
InChi:	InChI=1S/C14H11N3O/c15-9-12-4-1-3-11(7-12)8-14(18)17-13-5-2-6-16-10-13/h1-7,10H,8H2,(H,17,18)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide

UH4

UH4
Name:	N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea
Formula:	C11 H11 N3 O S
SMILES:	N(C(Nc1ccc(s1)C)=O)c2cccnc2
InChi:	InChI=1S/C11H11N3OS/c1-8-4-5-10(16-8)14-11(15)13-9-3-2-6-12-7-9/h2-7H,1H3,(H2,13,14,15)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea

UH7

UH7
Name:	2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 Cl N2 O
SMILES:	N(C(Cc1cccc(c1)Cl)=O)c2cnccc2C
InChi:	InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide

UHA

UHA
Name:	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C15 H15 Cl N2 O
SMILES:	n1ccc(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O
InChi:	InChI=1S/C15H15ClN2O/c1-10-6-7-17-9-14(10)18-15(19)11(2)12-4-3-5-13(16)8-12/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide

UHG

UHG
Name:	(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
Formula:	C15 H12 Cl N O2
SMILES:	c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)=O
InChi:	InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid

UHS

UHS
Name:	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
Formula:	C21 H30 N4 O3
SMILES:	N(C(C)(C)C)C(=O)C(N(c1noc(C(C)(C)C)c1)C(=O)CC)c2cnccc2
InChi:	InChI=1S/C21H30N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h9-13,18H,8H2,1-7H3,(H,23,27)/t18-/m1/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide

UHV

UHV
Name:	N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C25 H30 N4 O4
SMILES:	N(c1c(cc(cc1)OC)C)C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O)CC
InChi:	InChI=1S/C25H30N4O4/c1-7-22(30)29(21-14-20(33-28-21)25(3,4)5)23(17-9-8-12-26-15-17)24(31)27-19-11-10-18(32-6)13-16(19)2/h8-15,23H,7H2,1-6H3,(H,27,31)/t23-/m1/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

UHY

UHY
Name:	N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide
Formula:	C27 H32 N4 O2
SMILES:	N(c1c(cccc1C)CC)C(=O)C(N(c2cnc(C(C)C)cc2)C(CC)=O)c3cnccc3
InChi:	InChI=1S/C27H32N4O2/c1-6-20-11-8-10-19(5)25(20)30-27(33)26(21-12-9-15-28-16-21)31(24(32)7-2)22-13-14-23(18(3)4)29-17-22/h8-18,26H,6-7H2,1-5H3,(H,30,33)/t26-/m1/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide

UJ1

UJ1
Name:	N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C26 H33 N5 O2
SMILES:	N(c1c(cccc1C)CC)C(=O)C(N(c2cc(nn2)C(C)(C)C)C(CC)=O)c3cnccc3
InChi:	InChI=1S/C26H33N5O2/c1-7-18-12-9-11-17(3)23(18)28-25(33)24(19-13-10-14-27-16-19)31(22(32)8-2)21-15-20(29-30-21)26(4,5)6/h9-16,24H,7-8H2,1-6H3,(H,28,33)(H,29,30)/t24-/m1/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

UJ4

UJ4
Name:	N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C27 H31 N3 O4
SMILES:	N(c1c(C)cc(cc1)OC)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(OC)C)C(CC)=O
InChi:	InChI=1S/C27H31N3O4/c1-6-25(31)30(22-11-9-20(10-12-22)19(3)33-4)26(21-8-7-15-28-17-21)27(32)29-24-14-13-23(34-5)16-18(24)2/h7-17,19,26H,6H2,1-5H3,(H,29,32)/t19-,26+/m0/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

P4J

P4J
Name:	[(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium
Formula:	C8 H9 N2 O22 V6
SMILES:	C1(C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2ccnc2
InChi:	InChI=1S/C8H9N2O4.15H2O.3O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10
Definition date:	2019-07-30
Last modified:	2020-05-18
Release date:	2020-04-29
Identifier:	vanadium(4+) hydroxide dihydroxy(dioxido)vanadium (2R,3R,4R,5S)-2-(1H-imidazol-1-yl)-5-(oxidomethyl)tetrahydrofuran-3,4-diolate trihydroxy(oxido)vanadium (4:10:1:1:1) (non-preferred name)

YF2

YF2
Name:	N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
Formula:	C30 H28 N6 O3 S
SMILES:	CC(n1ccc2c1cc(cc2NS(CC)(=O)=O)c3cn(C)c4c3C=CNC4=O)(c5ccccn5)c6ncccc6
InChi:	InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)
Definition date:	2019-05-20
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide

CW0

CW0
Name:	piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
Formula:	C22 H32 F N3 O2
SMILES:	FC1(CCN(CC1)C(=O)OCC2CCNCC2)CN[CH]3C[CH]3c4ccccc4
InChi:	InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m0/s1
Definition date:	2019-05-20
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate

D3U

D3U
Name:	2-PCPA derivative
Formula:	C36 H41 N9 O15 P2
SMILES:	Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C=CN7c2cc1C)c8ccccc8
InChi:	InChI=1S/C36H41N9O15P2/c1-17-10-21-22(11-18(17)2)45-9-8-20(19-6-4-3-5-7-19)36(45)33(41-35(52)42-34(36)51)43(21)12-23(46)27(48)24(47)13-57-61(53,54)60-62(55,56)58-14-25-28(49)29(50)32(59-25)44-16-40-26-30(37)38-15-39-31(26)44/h3-11,15-16,20,23-25,27-29,32,46-50H,12-14H2,1-2H3,(H,53,54)(H,55,56)(H2,37,38,39)(H,42,51,52)/t20-,23-,24+,25+,27-,28+,29+,32+,36-/m0/s1
Definition date:	2019-06-20
Last modified:	2020-05-15
Release date:	2020-05-20

LFW

LFW
Name:	(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
Formula:	C17 H11 I O4
SMILES:	Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I)c3
InChi:	InChI=1S/C17H11IO4/c1-10-5-6-15-11(7-10)8-14(17(20)22-15)16(19)21-13-4-2-3-12(18)9-13/h2-9H,1H3
Definition date:	2019-08-14
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate

QNY

QNY
Name:	O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine
Formula:	C8 H16 N2 O7
SMILES:	O=C(O)C(N)C(OC(CC(C(O)=O)N)(O)O)C
InChi:	InChI=1S/C8H16N2O7/c1-3(5(10)7(13)14)17-8(15,16)2-4(9)6(11)12/h3-5,15-16H,2,9-10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+/m1/s1
Definition date:	2019-11-26
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine

QSA

QSA
Name:	~{N}-methyl-2-[2-[(~{E})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide
Formula:	C21 H20 N3 O S
SMILES:	C1=CN(C)c4ccccc4C/1=Cc2[n+](CC(NC)=O)c3c(s2)cccc3
InChi:	InChI=1S/C21H19N3OS/c1-22-20(25)14-24-18-9-5-6-10-19(18)26-21(24)13-15-11-12-23(2)17-8-4-3-7-16(15)17/h3-13H,14H2,1-2H3/p+1
Definition date:	2019-12-16
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	3-[2-(methylamino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium

QSV

QSV
Name:	(2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide)
Formula:	C20 H24 N8 S
SMILES:	N(/NC(NC)=N)=C(/C)c1ccc3c(c1)c2cc(ccc2s3)C(=NN/C(NC)=N)C
InChi:	InChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/b25-11+,26-12+
Definition date:	2019-12-17
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	(2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide)

QSY

QSY
Name:	N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium
Formula:	C21 H29 N4 O2
SMILES:	c4(ccc3nc1c(N=CN(C1=O)CCC[NH+](C2CCCCC2)C)c3c4)OC
InChi:	InChI=1S/C21H28N4O2/c1-24(15-7-4-3-5-8-15)11-6-12-25-14-22-19-17-13-16(27-2)9-10-18(17)23-20(19)21(25)26/h9-10,13-15,23H,3-8,11-12H2,1-2H3/p+1
Definition date:	2019-12-17
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium

QW4

QW4
Name:	2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium
Formula:	C21 H19 N2 O S
SMILES:	C=3N(C)c4ccccc4C(=Cc1[n+](CC(C)=O)c2c(s1)cccc2)C=3
InChi:	InChI=1S/C21H19N2OS/c1-15(24)14-23-19-9-5-6-10-20(19)25-21(23)13-16-11-12-22(2)18-8-4-3-7-17(16)18/h3-13H,14H2,1-2H3/q+1
Definition date:	2020-01-03
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium

O9E

O9E
Name:	~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide
Formula:	C30 H38 N8 O2 S2
SMILES:	CCCn1cc(CN(C)C(=O)c2sc(C)c(c2)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(CC)nn5)nn1
InChi:	InChI=1S/C30H38N8O2S2/c1-7-12-38-18-22(32-34-38)16-36(6)30(40)28-14-26(20(4)42-28)24-11-9-10-23(24)25-13-27(41-19(25)3)29(39)35(5)15-21-17-37(8-2)33-31-21/h13-14,17-18H,7-12,15-16H2,1-6H3
Definition date:	2020-02-24
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide

OH8

OH8
Name:	~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{H}-indazole-3-carboxamide
Formula:	C25 H33 N5 O3
SMILES:	COCCN1CCC(CC1)CNC(=O)c2n[nH]c3ccc(cc23)c4cncc(OC(C)C)c4
InChi:	InChI=1S/C25H33N5O3/c1-17(2)33-21-12-20(15-26-16-21)19-4-5-23-22(13-19)24(29-28-23)25(31)27-14-18-6-8-30(9-7-18)10-11-32-3/h4-5,12-13,15-18H,6-11,14H2,1-3H3,(H,27,31)(H,28,29)
Definition date:	2020-03-10
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{H}-indazole-3-carboxamide

OHK

OHK
Name:	~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
Formula:	C22 H26 N4 O3
SMILES:	CC(C)Oc1cncc(c1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4
InChi:	InChI=1S/C22H26N4O3/c1-15(2)29-20-9-18(11-23-13-20)17-3-4-19-12-24-21(26(19)14-17)22(27)25-10-16-5-7-28-8-6-16/h3-4,9,11-16H,5-8,10H2,1-2H3,(H,25,27)
Definition date:	2020-03-11
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide

PW2

PW2
Name:	2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
Formula:	C19 H16 N2 O5
SMILES:	COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(O)=O
InChi:	InChI=1S/C19H16N2O5/c1-26-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16(22)18(20-9-14)19(25)21-10-17(23)24/h2-9,22H,10H2,1H3,(H,21,25)(H,23,24)
Definition date:	2020-04-29
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid

NJY

NJY
Name:	(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
Formula:	C33 H43 F N4 O8 S
SMILES:	C12CC3COC1OCC2C3OC(=O)NC(Cc4cccc(c4)F)C(O)CN(CC(C)C)S(=O)(=O)c5cc6c(cc5)nc(o6)NC(C)C
InChi:	InChI=1S/C33H43FN4O8S/c1-18(2)14-38(47(41,42)23-8-9-26-29(13-23)45-32(36-26)35-19(3)4)15-28(39)27(11-20-6-5-7-22(34)10-20)37-33(40)46-30-21-12-24-25(30)17-44-31(24)43-16-21/h5-10,13,18-19,21,24-25,27-28,30-31,39H,11-12,14-17H2,1-4H3,(H,35,36)(H,37,40)/t21-,24-,25-,27+,28-,30+,31+/m1/s1
Definition date:	2019-05-16
Last modified:	2020-05-15
Release date:	2020-05-20
Identifier:	(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate

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