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Q3X

Q3X
Name:	~{N}-[5-[4-[2-[2-[2-[2-[3-[[3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-3~{H}-pyridine-3-carboxamide
Formula:	C58 H72 F3 N9 O11 S
SMILES:	CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCCOCCOCCOCCOCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C
InChi:	InChI=1S/C58H72F3N9O11S/c1-37-51(82-36-65-37)40-8-6-38(7-9-40)33-64-55(76)48-31-43(71)35-70(48)56(77)52(57(2,3)4)67-49(72)16-22-78-24-26-80-28-29-81-27-25-79-23-17-62-53(74)41-12-10-39(11-13-41)42-14-15-47(69-20-18-68(5)19-21-69)46(30-42)66-54(75)44-34-63-50(73)32-45(44)58(59,60)61/h6-15,30,32,34,36,43,48,52,71H,16-29,31,33,35H2,1-5H3,(H,62,74)(H,63,73)(H,64,76)(H,66,75)(H,67,72)/t43-,48+,52-/m1/s1
Definition date:	2022-10-12
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	~{N}-[5-[4-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide

Q43

Q43
Name:	~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
Formula:	C56 H60 F3 N9 O7 S
SMILES:	CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCc5ccc(CC(=O)N[CH](C(=O)N6C[CH](O)C[CH]6C(=O)NCc7ccc(cc7)c8scnc8C)C(C)(C)C)cc5
InChi:	InChI=1S/C56H60F3N9O7S/c1-33-49(76-32-63-33)38-12-10-36(11-13-38)29-62-53(74)46-26-41(69)31-68(46)54(75)50(55(2,3)4)65-48(71)24-34-6-8-35(9-7-34)28-61-51(72)39-16-14-37(15-17-39)40-18-19-45(67-22-20-66(5)21-23-67)44(25-40)64-52(73)42-30-60-47(70)27-43(42)56(57,58)59/h6-19,25,27,30,32,41,46,50,69H,20-24,26,28-29,31H2,1-5H3,(H,60,70)(H,61,72)(H,62,74)(H,64,73)(H,65,71)/t41-,46+,50-/m1/s1
Definition date:	2022-10-13
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide

IQ4

IQ4
Name:	~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide
Formula:	C29 H38 N6 O2 S6
SMILES:	Oc1ccc(cc1)C(=S)NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)c2ccc(O)cc2
InChi:	InChI=1S/C29H38N6O2S6/c36-22-6-2-20(3-7-22)28(42)34-18-12-26(40)32-16-10-24(38)30-14-1-15-31-25(39)11-17-33-27(41)13-19-35-29(43)21-4-8-23(37)9-5-21/h2-9,36-37H,1,10-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,43)
Synonyms:	Closthioamide
Definition date:	2022-04-06
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide

ITO

ITO
Name:	[6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid
Formula:	C8 H6 Cl2 N2 O6 P2
SMILES:	O[P](O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1[P](O)(O)=O
InChi:	InChI=1S/C8H6Cl2N2O6P2/c9-3-1-5-6(2-4(3)10)12-8(20(16,17)18)7(11-5)19(13,14)15/h1-2H,(H2,13,14,15)(H2,16,17,18)
Definition date:	2022-04-12
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	[6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid

W50

W50
Name:	(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
Formula:	C13 H18 Br N O2
SMILES:	OC(COc1ccccc1Br)CN1CCCC1
InChi:	InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol

VNN

VNN
Name:	(4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone
Formula:	C11 H16 N2 O S
SMILES:	Cc1cc(cs1)C(=O)N1CCN(C)CC1
InChi:	InChI=1S/C11H16N2OS/c1-9-7-10(8-15-9)11(14)13-5-3-12(2)4-6-13/h7-8H,3-6H2,1-2H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone

W55

W55
Name:	2H-1-benzopyran-3-carboxylic acid
Formula:	C10 H8 O3
SMILES:	O=C(O)C1=Cc2ccccc2OC1
InChi:	InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2H-1-benzopyran-3-carboxylic acid

V8T

V8T
Name:	(1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine
Formula:	C11 H17 N O
SMILES:	CC(C)Oc1ccc(cc1)C(C)N
InChi:	InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/t9-/m1/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine

VNU

VNU
Name:	N-(1-phenylcyclobutyl)glycinamide
Formula:	C12 H16 N2 O
SMILES:	O=C(NC1(CCC1)c1ccccc1)CN
InChi:	InChI=1S/C12H16N2O/c13-9-11(15)14-12(7-4-8-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-(1-phenylcyclobutyl)glycinamide

V92

V92
Name:	4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
Formula:	C10 H6 N2 O2
SMILES:	OC=1c2ccccc2NC(=O)C=1C#N
InChi:	InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile

W5L

W5L
Name:	(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
Formula:	C10 H14 Cl N O2
SMILES:	Cc1cc(OCC(O)CN)ccc1Cl
InChi:	InChI=1S/C10H14ClNO2/c1-7-4-9(2-3-10(7)11)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol

VO9

VO9
Name:	N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
Formula:	C10 H13 N O2 S
SMILES:	O=C(N(CCO)C1CC1)c1cccs1
InChi:	InChI=1S/C10H13NO2S/c12-6-5-11(8-3-4-8)10(13)9-2-1-7-14-9/h1-2,7-8,12H,3-6H2
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide

VOE

VOE
Name:	(2R)-2-phenylbutan-1-amine
Formula:	C10 H15 N
SMILES:	NCC(CC)c1ccccc1
InChi:	InChI=1S/C10H15N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3/t9-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2R)-2-phenylbutan-1-amine

W5Q

W5Q
Name:	N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide
Formula:	C12 H16 F2 N2 O
SMILES:	Fc1cc(F)ccc1C(C)NCC(=O)NCC
InChi:	InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide

V9I

V9I
Name:	ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate
Formula:	C10 H18 N2 O4
SMILES:	CONC(=O)C1CCCN(C1)C(=O)OCC
InChi:	InChI=1S/C10H18N2O4/c1-3-16-10(14)12-6-4-5-8(7-12)9(13)11-15-2/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate

W5U

W5U
Name:	N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
Formula:	C11 H15 F N2 O
SMILES:	O=C(NCCN(C)C)c1ccc(F)cc1
InChi:	InChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-[2-(dimethylamino)ethyl]-4-fluorobenzamide

VOK

VOK
Name:	5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
Formula:	C9 H14 N2 O3
SMILES:	O=C1NC(=O)N(C)C(=O)C1(CC)CC
InChi:	InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

W5Z

W5Z
Name:	3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide
Formula:	C12 H12 F N3 O
SMILES:	Fc1cccc(c1)C(=O)NCCn1ccnc1
InChi:	InChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)12(17)15-5-7-16-6-4-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide

W63

W63
Name:	(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide
Formula:	C11 H14 Cl N O2 S
SMILES:	Clc1cc(NC(=O)C(C)SCCO)ccc1
InChi:	InChI=1S/C11H14ClNO2S/c1-8(16-6-5-14)11(15)13-10-4-2-3-9(12)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)/t8-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide

VOQ

VOQ
Name:	N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
Formula:	C11 H19 N3 O2
SMILES:	CN(Cc1c(C)onc1C)C(=O)C(C)(C)N
InChi:	InChI=1S/C11H19N3O2/c1-7-9(8(2)16-13-7)6-14(5)10(15)11(3,4)12/h6,12H2,1-5H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide

UTE

UTE
Name:	4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile
Formula:	C20 H14 F3 N3 O3
SMILES:	Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c(C)cc2C#N
InChi:	InChI=1S/C20H14F3N3O3/c1-11-5-3-4-6-15(11)29-16-8-14(12(2)7-13(16)10-24)26-18(27)9-17(20(21,22)23)25-19(26)28/h3-9H,1-2H3,(H,25,28)
Synonyms:	4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile
Definition date:	2021-03-17
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile

V9X

V9X
Name:	3-(1H-indol-3-yl)propanamide
Formula:	C11 H12 N2 O
SMILES:	NC(=O)CCc1c[NH]c2ccccc21
InChi:	InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-(1H-indol-3-yl)propanamide

UTK

UTK
Name:	4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile
Formula:	C19 H11 F4 N3 O3
SMILES:	Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c(F)cc2C#N
InChi:	InChI=1S/C19H11F4N3O3/c1-10-4-2-3-5-14(10)29-15-7-13(12(20)6-11(15)9-24)26-17(27)8-16(19(21,22)23)25-18(26)28/h2-8H,1H3,(H,25,28)
Synonyms:	4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile
Definition date:	2021-03-17
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile

W6C

W6C
Name:	N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
Formula:	C10 H17 N3 O3
SMILES:	O=C(NC(C)COC)C=1CCC(=O)N(C)N=1
InChi:	InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

VP0

VP0
Name:	[(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
Formula:	C13 H15 N O3
SMILES:	O=C(O)CC1c2ccccc2CCN1C(C)=O
InChi:	InChI=1S/C13H15NO3/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13(16)17/h2-5,12H,6-8H2,1H3,(H,16,17)/t12-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	[(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid

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222415

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