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YAX

YAX
Name:	2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide
Formula:	C47 H51 Cl N10 O4 S
SMILES:	Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCOCCOc4ccc5nc([nH]c5c4)[CH]6CC[CH](CC6)NC(=O)CNCc7[nH]c8ccccc8c7)N=C(c9ccc(Cl)cc9)c2c1C
InChi:	InChI=1S/C47H51ClN10O4S/c1-27-28(2)63-47-43(27)44(30-8-12-33(48)13-9-30)53-40(46-57-56-29(3)58(46)47)24-41(59)50-18-19-61-20-21-62-36-16-17-38-39(23-36)55-45(54-38)31-10-14-34(15-11-31)52-42(60)26-49-25-35-22-32-6-4-5-7-37(32)51-35/h4-9,12-13,16-17,22-23,31,34,40,49,51H,10-11,14-15,18-21,24-26H2,1-3H3,(H,50,59)(H,52,60)(H,54,55)/t31-,34+,40-/m0/s1
Definition date:	2023-11-28
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide

YBI

YBI
Name:	~{N}-[4-[6-[3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoyl]piperazin-1-yl]propoxy]-1~{H}-benzimidazol-2-yl]cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide
Formula:	C50 H56 Cl N11 O3 S
SMILES:	Cc1sc2n3c(C)nnc3[CH](CC(=O)N4CCN(CCCOc5ccc6nc([nH]c6c5)[CH]7CC[CH](CC7)NC(=O)CNCc8[nH]c9ccccc9c8)CC4)N=C(c%10ccc(Cl)cc%10)c2c1C
InChi:	InChI=1S/C50H56ClN11O3S/c1-30-31(2)66-50-46(30)47(33-9-13-36(51)14-10-33)55-43(49-59-58-32(3)62(49)50)27-45(64)61-22-20-60(21-23-61)19-6-24-65-39-17-18-41-42(26-39)57-48(56-41)34-11-15-37(16-12-34)54-44(63)29-52-28-38-25-35-7-4-5-8-40(35)53-38/h4-5,7-10,13-14,17-18,25-26,34,37,43,52-53H,6,11-12,15-16,19-24,27-29H2,1-3H3,(H,54,63)(H,56,57)/t34-,37+,43-/m0/s1
Definition date:	2023-11-28
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	~{N}-[4-[6-[3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoyl]piperazin-1-yl]propoxy]-1~{H}-benzimidazol-2-yl]cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide

A1AXA

A1AXA
Name:	{4-[(oxan-4-yl)oxy]phenyl}methanol
Formula:	C12 H16 O3
SMILES:	OCc1ccc(cc1)OC1CCOCC1
InChi:	InChI=1S/C12H16O3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12-13H,5-9H2
Definition date:	2024-07-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	{4-[(oxan-4-yl)oxy]phenyl}methanol

A1AXB

A1AXB
Name:	N-(5-chloro-2-methoxyphenyl)thiourea
Formula:	C8 H9 Cl N2 O S
SMILES:	COc1ccc(Cl)cc1NC(N)=S
InChi:	InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13)
Definition date:	2024-07-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-(5-chloro-2-methoxyphenyl)thiourea

A1AXE

A1AXE
Name:	1-methyl-1H-indole-6-carboxylic acid
Formula:	C10 H9 N O2
SMILES:	O=C(O)c1ccc2ccn(C)c2c1
InChi:	InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
Definition date:	2024-07-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	1-methyl-1H-indole-6-carboxylic acid

A1AXF

A1AXF
Name:	1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine
Formula:	C10 H12 Cl F2 N3
SMILES:	FC(F)c1cc(ncc1Cl)N1CCNCC1
InChi:	InChI=1S/C10H12ClF2N3/c11-8-6-15-9(5-7(8)10(12)13)16-3-1-14-2-4-16/h5-6,10,14H,1-4H2
Definition date:	2024-07-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine

A1AXQ

A1AXQ
Name:	2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
Formula:	C9 H7 Br N2 O
SMILES:	Cc1nnc(o1)c1cc(Br)ccc1
InChi:	InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole

A1AXR

A1AXR
Name:	[3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid
Formula:	C12 H12 N2 O2
SMILES:	OC(=O)Cn1ccc(n1)c1ccc(C)cc1
InChi:	InChI=1S/C12H12N2O2/c1-9-2-4-10(5-3-9)11-6-7-14(13-11)8-12(15)16/h2-7H,8H2,1H3,(H,15,16)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	[3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid

A1AXU

A1AXU
Name:	5-bromo-2-(1H-pyrazol-1-yl)pyrimidine
Formula:	C7 H5 Br N4
SMILES:	Brc1cnc(nc1)n1cccn1
InChi:	InChI=1S/C7H5BrN4/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	5-bromo-2-(1H-pyrazol-1-yl)pyrimidine

A1AXV

A1AXV
Name:	N-(3-methylphenyl)thiourea
Formula:	C8 H10 N2 S
SMILES:	S=C(N)Nc1cc(C)ccc1
InChi:	InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-(3-methylphenyl)thiourea

A1AXY

A1AXY
Name:	N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea
Formula:	C15 H21 N3 S
SMILES:	S=C(NCCc1ccccn1)NC1CC2CCC1C2
InChi:	InChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)/t11-,12?,14?/m1/s1
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea

A1AXZ

A1AXZ
Name:	3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
Formula:	C11 H12 N2 O S
SMILES:	O=C1CNC(=S)N1CCc1ccccc1
InChi:	InChI=1S/C11H12N2OS/c14-10-8-12-11(15)13(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one

A1AYA

A1AYA
Name:	[2-(4-methylpiperazin-1-yl)phenyl]methanol
Formula:	C12 H18 N2 O
SMILES:	CN1CCN(CC1)c1ccccc1CO
InChi:	InChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	[2-(4-methylpiperazin-1-yl)phenyl]methanol

A1AYB

A1AYB
Name:	N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine
Formula:	C13 H14 N2 O
SMILES:	CNCc1ccc(cc1)Oc1ccccn1
InChi:	InChI=1S/C13H14N2O/c1-14-10-11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-9,14H,10H2,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine

A1AYE

A1AYE
Name:	6-(4-chloro-3-methylphenoxy)pyridin-3-amine
Formula:	C12 H11 Cl N2 O
SMILES:	Cc1cc(ccc1Cl)Oc1ccc(N)cn1
InChi:	InChI=1S/C12H11ClN2O/c1-8-6-10(3-4-11(8)13)16-12-5-2-9(14)7-15-12/h2-7H,14H2,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	6-(4-chloro-3-methylphenoxy)pyridin-3-amine

A1AYF

A1AYF
Name:	(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Formula:	C8 H9 N O2
SMILES:	O=C1NC(=O)C2CC=CCC12
InChi:	InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

A1AYQ

A1AYQ
Name:	(4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine
Formula:	C8 H8 Cl N3
SMILES:	Clc1cccc2nnc(CC)n12
InChi:	InChI=1S/C8H8ClN3/c1-2-7-10-11-8-5-3-4-6(9)12(7)8/h3-5H,2H2,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine

A1AYR

A1AYR
Name:	3-(3-bromothiophen-2-yl)-1H-pyrazole
Formula:	C7 H5 Br N2 S
SMILES:	Brc1ccsc1c1n[NH]cc1
InChi:	InChI=1S/C7H5BrN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	3-(3-bromothiophen-2-yl)-1H-pyrazole

A1AYU

A1AYU
Name:	2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Formula:	C10 H7 F3 N2 O
SMILES:	FC(F)(F)C1=CC(=O)N(N1)c1ccccc1
InChi:	InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,14H
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one

A1AYV

A1AYV
Name:	2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Formula:	C7 H6 N2 O4 S
SMILES:	NS(=O)(=O)c1ccc2NC(=O)Oc2c1
InChi:	InChI=1S/C7H6N2O4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)(H2,8,11,12)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

A1AYY

A1AYY
Name:	[6-(pyrrolidin-1-yl)pyridin-2-yl]methanol
Formula:	C10 H14 N2 O
SMILES:	OCc1cccc(n1)N1CCCC1
InChi:	InChI=1S/C10H14N2O/c13-8-9-4-3-5-10(11-9)12-6-1-2-7-12/h3-5,13H,1-2,6-8H2
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	[6-(pyrrolidin-1-yl)pyridin-2-yl]methanol

A1AYZ

A1AYZ
Name:	5-methyl-2-(trifluoromethyl)furan-3-carboxamide
Formula:	C7 H6 F3 N O2
SMILES:	O=C(N)c1cc(C)oc1C(F)(F)F
InChi:	InChI=1S/C7H6F3NO2/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H2,11,12)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	5-methyl-2-(trifluoromethyl)furan-3-carboxamide

A1B0W

A1B0W
Name:	N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
Formula:	C22 H27 N3 O2 S
SMILES:	O=C(NCCCN1CCCCCC1)c1cc2C(=O)N(C)c3ccccc3c2s1
InChi:	InChI=1S/C22H27N3O2S/c1-24-18-10-5-4-9-16(18)20-17(22(24)27)15-19(28-20)21(26)23-11-8-14-25-12-6-2-3-7-13-25/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3,(H,23,26)
Definition date:	2025-03-18
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide

A1H7R

A1H7R
Name:	(2S)-1-(4-bromophenyl)propan-2-amine
Formula:	C9 H12 Br N
SMILES:	C[CH](N)Cc1ccc(Br)cc1
InChi:	InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
Synonyms:	N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide)
Definition date:	2024-04-05
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(2~{S})-1-(4-bromophenyl)propan-2-amine

A1IQ0

A1IQ0
Name:	methyl (~{Z})-3-(4-ethynoxy-3,5-dimethoxy-phenyl)-2-methyl-prop-2-enoate
Formula:	C16 H18 O5
SMILES:	COC(=O)C(C)=Cc1cc(OC)c(OCC#C)c(OC)c1
InChi:	InChI=1S/C16H18O5/c1-6-7-21-15-13(18-3)9-12(10-14(15)19-4)8-11(2)16(17)20-5/h1,8-10H,7H2,2-5H3/b11-8-
Definition date:	2024-10-03
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	methyl (~{Z})-3-(3,5-dimethoxy-4-prop-2-ynoxy-phenyl)-2-methyl-prop-2-enoate

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