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VWA

VWA
Name:	(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine
Formula:	C9 H12 F N
SMILES:	N(C)C(c1ccc(cc1)F)C
InChi:	InChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine

VWD

VWD
Name:	(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
Formula:	C9 H12 O3 S
SMILES:	c1(C(CS(C)(=O)=O)O)ccccc1
InChi:	InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol

VWG

VWG
Name:	N-hydroxyquinoline-2-carboxamide
Formula:	C10 H8 N2 O2
SMILES:	N(O)C(=O)c1ccc2c(n1)cccc2
InChi:	InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-hydroxyquinoline-2-carboxamide

VWJ

VWJ
Name:	N-(propan-2-yl)-1H-benzimidazol-2-amine
Formula:	C10 H13 N3
SMILES:	N(c1nc2c(n1)cccc2)C(C)C
InChi:	InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-(propan-2-yl)-1H-benzimidazol-2-amine

VWM

VWM
Name:	(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
Formula:	C8 H13 N O4
SMILES:	N1(CCCC(O)(C1)C(=O)O)C(C)=O
InChi:	InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m1/s1
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid

VWV

VWV
Name:	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
Formula:	C8 H15 N O4 S
SMILES:	N1(CC(OCC)=O)CCS(CC1)(=O)=O
InChi:	InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate

VWY

VWY
Name:	N-ethyl-4-[(methylsulfonyl)amino]benzamide
Formula:	C10 H14 N2 O3 S
SMILES:	N(CC)C(c1ccc(cc1)NS(C)(=O)=O)=O
InChi:	InChI=1S/C10H14N2O3S/c1-3-11-10(13)8-4-6-9(7-5-8)12-16(2,14)15/h4-7,12H,3H2,1-2H3,(H,11,13)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-ethyl-4-[(methylsulfonyl)amino]benzamide

VX4

VX4
Name:	[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone
Formula:	C11 H16 N2 O S
SMILES:	N2(C(c1cscn1)=O)CCC(C)CCC2
InChi:	InChI=1S/C11H16N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3/t9-/m0/s1
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone

VZ7

VZ7
Name:	2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
Formula:	C11 H13 Cl O3
SMILES:	CC(C)(c1cccc(c1)Cl)COC(=O)O
InChi:	InChI=1S/C11H13ClO3/c1-11(2,7-15-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)
Definition date:	2020-09-23
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate

PJB

PJB
Name:	2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
Formula:	C17 H16 N4 O4 S
SMILES:	COc1ccc(O)c(c1)C2=NNC(=S)N2NCc3ccccc3C(O)=O
InChi:	InChI=1S/C17H16N4O4S/c1-25-11-6-7-14(22)13(8-11)15-19-20-17(26)21(15)18-9-10-4-2-3-5-12(10)16(23)24/h2-8,18,22H,9H2,1H3,(H,20,26)(H,23,24)
Definition date:	2020-04-21
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid

PK4

PK4
Name:	2-fluoro-N,3-dimethylbenzene-1-sulfonamide
Formula:	C8 H10 F N O2 S
SMILES:	CNS(c1c(c(C)ccc1)F)(=O)=O
InChi:	InChI=1S/C8H10FNO2S/c1-6-4-3-5-7(8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
Definition date:	2019-08-12
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	2-fluoro-N,3-dimethylbenzene-1-sulfonamide

PZJ

PZJ
Name:	(3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
Formula:	C14 H19 Cl N2 O3 S
SMILES:	C1(CS(CC1N3CCN(c2c(cccc2)Cl)CC3)(=O)=O)O
InChi:	InChI=1S/C14H19ClN2O3S/c15-11-3-1-2-4-12(11)16-5-7-17(8-6-16)13-9-21(19,20)10-14(13)18/h1-4,13-14,18H,5-10H2/t13-,14-/m0/s1
Definition date:	2019-08-29
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(3R,4R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-4-hydroxy-1lambda~6~-thiolane-1,1-dione

YIC

YIC
Name:	(2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
Formula:	C23 H32 N2 O4
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCCN2C(=O)CCC3CCCC3
InChi:	InChI=1S/C23H32N2O4/c26-21(14-13-17-8-4-5-9-17)25-15-7-6-12-20(25)22(27)24-19(23(28)29)16-18-10-2-1-3-11-18/h1-3,10-11,17,19-20H,4-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1
Definition date:	2019-10-08
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(2~{S})-2-[[(2~{S})-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

VKG

VKG
Name:	N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide
Formula:	C25 H24 F I N6 O5 S
SMILES:	CNS(Nc1cccc(c1)N5C(N(C2CC2)C(C=3C5=C(C(=O)N(C=3Nc4ccc(I)cc4F)C)C)=O)=O)(=O)=O
InChi:	InChI=1S/C25H24FIN6O5S/c1-13-21-20(22(31(3)23(13)34)29-19-10-7-14(27)11-18(19)26)24(35)33(16-8-9-16)25(36)32(21)17-6-4-5-15(12-17)30-39(37,38)28-2/h4-7,10-12,16,28-30H,8-9H2,1-3H3
Definition date:	2020-08-21
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide

VVJ

VVJ
Name:	N-cycloheptyl-N-methylmethanesulfonamide
Formula:	C9 H19 N O2 S
SMILES:	N(S(=O)(=O)C)(C1CCCCCC1)C
InChi:	InChI=1S/C9H19NO2S/c1-10(13(2,11)12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-cycloheptyl-N-methylmethanesulfonamide

VVM

VVM
Name:	4-amino-N-phenylbenzene-1-sulfonamide
Formula:	C12 H12 N2 O2 S
SMILES:	Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2
InChi:	InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	4-amino-N-phenylbenzene-1-sulfonamide

VVP

VVP
Name:	4-methoxy-1H-indole
Formula:	C9 H9 N O
SMILES:	n1ccc2c1cccc2OC
InChi:	InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	4-methoxy-1H-indole

V0S

V0S
Name:	3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
Formula:	C28 H28 Cl N3 O S
SMILES:	C5(CCC(N(C(c2c(c1c(cccc1)s2)Cl)=O)Cc3cccc(c3)c4ccncc4)CC5)NC
InChi:	InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-
Definition date:	2020-06-11
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide

570

570
Name:	2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
Formula:	C34 H30 N2 O5
SMILES:	O=C(c1ccccc1)c2ccccc2NC(C(=O)O)Cc5ccc(OCCc3nc(oc3C)c4ccccc4)cc5
InChi:	InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
Synonyms:	GI262570
Definition date:	2000-09-08
Last modified:	2020-09-25
Identifier:	O-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-[2-(phenylcarbonyl)phenyl]-L-tyrosine

E1L

E1L
Name:	N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide
Formula:	C19 H16 F3 N3 O S
SMILES:	FC(F)(F)Oc1ccc(NC(=S)N2CCc3c(C2)[nH]c4ccccc34)cc1
InChi:	InChI=1S/C19H16F3N3OS/c20-19(21,22)26-13-7-5-12(6-8-13)23-18(27)25-10-9-15-14-3-1-2-4-16(14)24-17(15)11-25/h1-8,24H,9-11H2,(H,23,27)
Definition date:	2019-10-01
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	~{N}-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide

FU6

FU6
Name:	3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide
Formula:	C20 H16 N4 O2
SMILES:	C=CC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCC#C
InChi:	InChI=1S/C20H16N4O2/c1-3-9-21-20(26)14-10-13(11-15(12-14)22-18(25)4-2)19-16-7-5-6-8-17(16)23-24-19/h1,4-8,10-12H,2,9H2,(H,21,26)(H,22,25)(H,23,24)
Definition date:	2020-06-16
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	3-(1~{H}-indazol-3-yl)-5-(prop-2-enoylamino)-~{N}-prop-2-ynyl-benzamide

B6O

B6O
Name:	3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione
Formula:	C24 H16 F2 N4 O2
SMILES:	CN(C)c1cccc(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34
InChi:	InChI=1S/C24H16F2N4O2/c1-29(2)14-7-5-6-13(10-14)20-18(25)11-15(12-19(20)26)30-22-21(27-28-30)23(31)16-8-3-4-9-17(16)24(22)32/h3-12H,1-2H3
Definition date:	2019-01-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione

B6U

B6U
Name:	3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
Formula:	C23 H12 F3 N3 O3
SMILES:	OCc1ccc(F)c(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34
InChi:	InChI=1S/C23H12F3N3O3/c24-16-6-5-11(10-30)7-15(16)19-17(25)8-12(9-18(19)26)29-21-20(27-28-29)22(31)13-3-1-2-4-14(13)23(21)32/h1-9,30H,10H2
Definition date:	2019-01-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione

DZU

DZU
Name:	8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
Formula:	C33 H35 N5 O
SMILES:	CN1CCN(CCCOc2cccc(c2)n3c(C=Cc4cccc5cccnc45)nc6cc(C)ccc36)CC1
InChi:	InChI=1S/C33H35N5O/c1-25-12-14-31-30(23-25)35-32(15-13-27-8-3-7-26-9-5-16-34-33(26)27)38(31)28-10-4-11-29(24-28)39-22-6-17-37-20-18-36(2)19-21-37/h3-5,7-16,23-24H,6,17-22H2,1-2H3/b15-13+
Definition date:	2019-09-26
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	8-[(~{E})-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline

F6O

F6O
Name:	N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Formula:	C29 H40 N8 O3 S
SMILES:	COc1cc(ccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5
InChi:	InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)
Definition date:	2020-04-03
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	~{N}4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

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