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9J9

9J9
Name:	(6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one
Formula:	C10 H14 O2
SMILES:	O=C1C=C(C(C)C)C(O)=CC1C
InChi:	InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-7,12H,1-3H3
Definition date:	2021-10-18
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one

9LR

9LR
Name:	1-methyl-4-(propan-2-ylidene)cyclohex-1-ene
Formula:	C10 H16
SMILES:	C/C(C)=C1CC=C(C)CC1
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
Definition date:	2021-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-methyl-4-(propan-2-ylidene)cyclohex-1-ene

9MI

9MI
Name:	1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene
Formula:	C10 H16
SMILES:	CC(C)C1=CC=C(C)CC1
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
Definition date:	2021-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene

9NI

9NI
Name:	1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
Formula:	C10 H16
SMILES:	CC1=CCC(=CC1)C(C)C
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
Definition date:	2021-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene

KVU

KVU
Name:	1-(2,4-dichlorophenyl)-3-oxidanyl-urea
Formula:	C7 H6 Cl2 N2 O2
SMILES:	ONC(=O)Nc1ccc(Cl)cc1Cl
InChi:	InChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
Definition date:	2022-06-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-(2,4-dichlorophenyl)-3-oxidanyl-urea

0IE

0IE
Name:	Siphonaxanthin
Formula:	C40 H56 O4
SMILES:	CC1=C(CC(=O)C(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C)C(C)(C)C[CH](O)C1
InChi:	InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,41-43H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+,36-/m0/s1
Definition date:	2022-01-21
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one

JY6

JY6
Name:	(3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one
Formula:	C16 H10 N2 O2
SMILES:	O=C1Nc2ccccc2C1=C3Nc4ccccc4C3=O
InChi:	InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-
Synonyms:	indirubin
Definition date:	2022-05-16
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one

E3J

E3J
Name:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide
Formula:	C13 H18 N2 O2 S
SMILES:	Sc1ccccc1C(=O)NCCN2CCOCC2
InChi:	InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16)
Definition date:	2021-12-23
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide

I90

I90
Name:	2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one
Formula:	C25 H20 N6 O3
SMILES:	Cn1cc(cn1)c2cnc3ccc(CCN4N=C(C=CC4=O)c5cccc(c5)[N+]([O-])=O)cc3c2
InChi:	InChI=1S/C25H20N6O3/c1-29-16-21(15-27-29)20-12-19-11-17(5-6-23(19)26-14-20)9-10-30-25(32)8-7-24(28-30)18-3-2-4-22(13-18)31(33)34/h2-8,11-16H,9-10H2,1H3
Definition date:	2022-06-17
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one

I94

I94
Name:	~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide
Formula:	C28 H23 F3 N6 O2
SMILES:	CNC(=O)c1ccc(cc1C(F)(F)F)C2=NN(CCc3ccc4ncc(cc4c3)c5cnn(C)c5)C(=O)C=C2
InChi:	InChI=1S/C28H23F3N6O2/c1-32-27(39)22-5-4-18(13-23(22)28(29,30)31)25-7-8-26(38)37(35-25)10-9-17-3-6-24-19(11-17)12-20(14-33-24)21-15-34-36(2)16-21/h3-8,11-16H,9-10H2,1-2H3,(H,32,39)
Definition date:	2022-06-17
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide

0UR

0UR
Name:	Siphonein
Formula:	C52 H76 O5
SMILES:	CCCCCCCCCC=CC(=O)OCC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]1C(=C[CH](O)CC1(C)C)C)C(=O)CC2=C(C)C[CH](O)CC2(C)C
InChi:	InChI=1S/C52H76O5/c1-11-12-13-14-15-16-17-18-19-30-50(56)57-38-44(49(55)35-48-43(6)34-46(54)37-52(48,9)10)29-23-28-40(3)25-21-20-24-39(2)26-22-27-41(4)31-32-47-42(5)33-45(53)36-51(47,7)8/h19-33,45-47,53-54H,11-18,34-38H2,1-10H3/b21-20+,26-22+,28-23+,30-19-,32-31+,39-24+,40-25+,41-27+,44-29+/t45-,46+,47-/m0/s1
Definition date:	2022-01-21
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	[(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-6,11,15-trimethyl-17-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-2-[2-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]ethanoyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] (~{Z})-dodec-2-enoate

K9I

K9I
Name:	(3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one
Formula:	C26 H40 O7
SMILES:	CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)c2cccc(C[CH](O)[CH](O)C(=O)O1)c2)OC
InChi:	InChI=1S/C26H40O7/c1-6-17(15-27)10-16(2)22-13-20(32-5)14-23(29)26(3,4)19-9-7-8-18(11-19)12-21(28)24(30)25(31)33-22/h7-11,17,20-24,27-30H,6,12-15H2,1-5H3/b16-10-/t17-,20-,21-,22+,23+,24+/m1/s1
Definition date:	2022-05-23
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(3~{R},4~{S},7~{S},9~{S},11~{S})-7-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-9-methoxy-12,12-dimethyl-3,4,11-tris(oxidanyl)-6-oxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one

KGL

KGL
Name:	(1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione
Formula:	C30 H25 F3 N6 O2
SMILES:	FC(F)(F)c1cc2ccc1C(=O)NCCCCn3cc(cn3)c4cnc5ccc(CC[N]6N=C2C=CC6=O)cc5c4
InChi:	InChI=1S/C30H25F3N6O2/c31-30(32,33)25-15-20-4-5-24(25)29(41)34-10-1-2-11-38-18-23(17-36-38)22-14-21-13-19(3-6-26(21)35-16-22)9-12-39-28(40)8-7-27(20)37-39/h3-8,13-18H,1-2,9-12H2,(H,34,41)
Definition date:	2022-09-20
Last modified:	2022-11-18
Release date:	2022-11-23

HQX

HQX
Name:	(2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide
Formula:	C11 H17 Br N2 O2
SMILES:	CC[CH](C)[CH](NC(C)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C11H17BrN2O2/c1-4-8(2)10(14-9(3)15)11(16)13-7-5-6-12/h8,10H,4,7H2,1-3H3,(H,13,16)(H,14,15)/t8-,10-/m0/s1
Definition date:	2022-02-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide

HWC

HWC
Name:	3-azanyl-5-bromanyl-1-methyl-pyridin-2-one
Formula:	C6 H7 Br N2 O
SMILES:	CN1C=C(Br)C=C(N)C1=O
InChi:	InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3
Definition date:	2022-02-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	3-azanyl-5-bromanyl-1-methyl-pyridin-2-one

M0I

M0I
Name:	4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide
Formula:	C26 H27 F N4 O4
SMILES:	CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1F)C(=O)NO)CC(=O)NCc1ccccc1
InChi:	InChI=1S/C26H27FN4O4/c1-30(2)22-12-10-19(11-13-22)26(34)31(17-24(32)28-15-18-6-4-3-5-7-18)16-21-9-8-20(14-23(21)27)25(33)29-35/h3-14,35H,15-17H2,1-2H3,(H,28,32)(H,29,33)
Definition date:	2022-03-10
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide

M0R

M0R
Name:	19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
Formula:	C21 H22 Cl N3 O5
SMILES:	Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1
InChi:	InChI=1S/C21H22ClN3O5/c1-26-19-12-16-15-11-20(19)30-9-7-28-5-4-27-6-8-29-18-3-2-14(22)10-17(18)25-21(15)24-13-23-16/h2-3,10-13H,4-9H2,1H3,(H,23,24,25)
Definition date:	2022-03-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine

M19

M19
Name:	4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol
Formula:	C15 H11 Cl F N3 O3
SMILES:	Clc1cc(Nc2ncnc3cc(OC)c(O)cc32)c(O)cc1F
InChi:	InChI=1S/C15H11ClFN3O3/c1-23-14-5-10-7(2-13(14)22)15(19-6-18-10)20-11-3-8(16)9(17)4-12(11)21/h2-6,21-22H,1H3,(H,18,19,20)
Definition date:	2022-03-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol

M1O

M1O
Name:	19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
Formula:	C21 H21 Cl F N3 O5
SMILES:	Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1F
InChi:	InChI=1S/C21H21ClFN3O5/c1-27-19-11-16-13-8-20(19)31-7-5-29-3-2-28-4-6-30-18-10-15(23)14(22)9-17(18)26-21(13)25-12-24-16/h8-12H,2-7H2,1H3,(H,24,25,26)
Definition date:	2022-03-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine

OG3

OG3
Name:	(1~{R})-1-(4-chlorophenyl)ethanamine
Formula:	C8 H10 Cl N
SMILES:	C[CH](N)c1ccc(Cl)cc1
InChi:	InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1
Synonyms:	(R)-1-(4-chlorophenyl)ethan-1-amine
Definition date:	2022-09-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1~{R})-1-(4-chlorophenyl)ethanamine

P0I

P0I
Name:	4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide
Formula:	C26 H33 N3 O3
SMILES:	O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cccc(OCCC2CCCCC2)c1
InChi:	InChI=1S/C26H33N3O3/c30-25(22-10-7-13-24(20-22)32-19-14-21-8-3-1-4-9-21)28-15-17-29(18-16-28)26(31)27-23-11-5-2-6-12-23/h2,5-7,10-13,20-21H,1,3-4,8-9,14-19H2,(H,27,31)
Definition date:	2022-05-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide

7RF

7RF
Name:	(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate
Formula:	C19 H17 N5 O2
SMILES:	NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N
InChi:	InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
Definition date:	2021-10-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate

875

875
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Formula:	C15 H26 N6 O13 P2
SMILES:	NC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C15H26N6O13P2/c16-1-6(22)10(24)7(23)2-31-35(27,28)34-36(29,30)32-3-8-11(25)12(26)15(33-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-26H,1-3,16H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7+,8+,10-,11+,12+,15+/m0/s1
Definition date:	2021-11-26
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

8IY

8IY
Name:	(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Formula:	C32 H37 F N4 O5
SMILES:	CO[CH](CO)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5
InChi:	InChI=1S/C32H37FN4O5/c1-42-29(19-38)22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)30(39)35-17-27-15-26(18-37(27)32(41)24-12-13-24)36-31(40)28-14-25(33)16-34-28/h4-11,24-29,34,38H,12-19H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,28-,29+/m0/s1
Definition date:	2021-10-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1~{S})-1-methoxy-2-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

O1F

O1F
Name:	(5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C12 H11 N O4 S2
SMILES:	COc1cc(C=C2SC(=S)NC2=O)c(OC)cc1O
InChi:	InChI=1S/C12H11NO4S2/c1-16-8-5-7(14)9(17-2)3-6(8)4-10-11(15)13-12(18)19-10/h3-5,14H,1-2H3,(H,13,15,18)/b10-4-
Definition date:	2022-08-25
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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