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VIU

VIU
Name:	1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine
Formula:	C23 H29 N3 S
SMILES:	CCc1cc(cc2[SH]=C3C=C(C=C(C)C3=Nc12)N4CCCC4)N5CCCC5
InChi:	InChI=1S/C23H29N3S/c1-3-17-13-19(26-10-6-7-11-26)15-21-23(17)24-22-16(2)12-18(14-20(22)27-21)25-8-4-5-9-25/h12-15,27H,3-11H2,1-2H3
Definition date:	2023-03-08
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine

UAI

UAI
Name:	2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol
Formula:	C15 H14 Cl2 O2
SMILES:	CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2
InChi:	InChI=1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3
Definition date:	2023-01-31
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol

OL6

OL6
Name:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid
Formula:	C20 H22 N2 O6 S
SMILES:	CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2cccc3ccccc23)C(O)=O
InChi:	InChI=1S/C20H22N2O6S/c1-20(2)16(19(26)27)22-17(29-20)15(18(24)25)21-14(23)10-28-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15-17,22H,10H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/t15-,16-,17+/m0/s1
Definition date:	2023-02-07
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid

WGF

WGF
Name:	3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide
Formula:	C26 H29 F2 N7 O3
SMILES:	CCC(=O)N1CC(CC1COC)n1nc(C#Cc2c(F)cc3n(cnc3c2F)C2CC2)c(c1NC)C(N)=O
InChi:	InChI=1S/C26H29F2N7O3/c1-4-21(36)33-11-15(9-16(33)12-38-3)35-26(30-2)22(25(29)37)19(32-35)8-7-17-18(27)10-20-24(23(17)28)31-13-34(20)14-5-6-14/h10,13-16,30H,4-6,9,11-12H2,1-3H3,(H2,29,37)/t15-,16+/m0/s1
Synonyms:	KIN-3248
Definition date:	2023-10-03
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide

QCX

QCX
Name:	(3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol
Formula:	C25 H37 N7 O3
SMILES:	CCCC(CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12
InChi:	InChI=1S/C25H37N7O3/c1-3-4-20(7-10-33)29-24-23-21(30-25(26)31-24)15-28-32(23)16-18-6-5-17(13-22(18)34-2)14-27-19-8-11-35-12-9-19/h5-6,13,15,19-20,27,33H,3-4,7-12,14,16H2,1-2H3,(H3,26,29,30,31)/t20-/m0/s1
Definition date:	2023-08-18
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol

OS9

OS9
Name:	8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
Formula:	C29 H33 N3 O3
SMILES:	COc1ccccc1Oc2cccc(CN3CCC4(CC3)N(CCc5ccccc5)CNC4=O)c2
InChi:	InChI=1S/C29H33N3O3/c1-34-26-12-5-6-13-27(26)35-25-11-7-10-24(20-25)21-31-18-15-29(16-19-31)28(33)30-22-32(29)17-14-23-8-3-2-4-9-23/h2-13,20H,14-19,21-22H2,1H3,(H,30,33)
Synonyms:	LMD-009
Definition date:	2023-08-24
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one

7MO

7MO
Name:	5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine
Formula:	C13 H22 N7 O6 P
SMILES:	NP(=O)(OCCCN)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H22N7O6P/c14-2-1-3-24-27(16,23)25-4-7-9(21)10(22)13(26-7)20-6-19-8-11(15)17-5-18-12(8)20/h5-7,9-10,13,21-22H,1-4,14H2,(H2,16,23)(H2,15,17,18)/t7-,9-,10-,13-,27-/m1/s1
Definition date:	2023-02-15
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine

7QJ

7QJ
Name:	3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid
Formula:	C18 H18 F3 N3 O3
SMILES:	CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c2cccc3CCCc23
InChi:	InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26)
Definition date:	2023-07-12
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	3-[4-[2,3-dihydro-1~{H}-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid

JIE

JIE
Name:	[(2R,3S,4R,5R)-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2S)-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C17 H26 N6 O7 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nccc23
InChi:	InChI=1S/C17H26N6O7S/c1-8(2)5-9(18)16(26)22-31(27,28)29-6-11-13(24)14(25)17(30-11)23-7-21-12-10(23)3-4-20-15(12)19/h3-4,7-9,11,13-14,17,24-25H,5-6,18H2,1-2H3,(H2,19,20)(H,22,26)/t9-,11+,13+,14+,17+/m0/s1
Definition date:	2022-08-17
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

WO0

WO0
Name:	[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid
Formula:	C17 H30 O3
SMILES:	O=C(O)CC1(O)CC2C(CC1C)C(C)(C)CCC2(C)C
InChi:	InChI=1S/C17H30O3/c1-11-8-12-13(9-17(11,20)10-14(18)19)16(4,5)7-6-15(12,2)3/h11-13,20H,6-10H2,1-5H3,(H,18,19)/t11-,12+,13+,17-/m0/s1
Definition date:	2023-05-15
Last modified:	2024-01-31
Release date:	2023-06-14
Identifier:	[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid

YCB

YCB
Name:	~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine
Formula:	C25 H34 N6
SMILES:	CN(C)CCCNc1nc(NCC2CCNCC2)c3cc(ccc3n1)c4ccccc4
InChi:	InChI=1S/C25H34N6/c1-31(2)16-6-13-27-25-29-23-10-9-21(20-7-4-3-5-8-20)17-22(23)24(30-25)28-18-19-11-14-26-15-12-19/h3-5,7-10,17,19,26H,6,11-16,18H2,1-2H3,(H2,27,28,29,30)
Definition date:	2023-06-13
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine

UP9

UP9
Name:	(2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide
Formula:	C28 H38 F N7 O3
SMILES:	O=C(N1CCN(C)CC1)C1Cc2[NH]c3c(cc(F)c(N4CCCC(C4)N4CCN(C)C4=O)c3c2CC1)C(N)=O
InChi:	InChI=1S/C28H38FN7O3/c1-32-8-11-34(12-9-32)27(38)17-5-6-19-22(14-17)31-24-20(26(30)37)15-21(29)25(23(19)24)35-7-3-4-18(16-35)36-13-10-33(2)28(36)39/h15,17-18,31H,3-14,16H2,1-2H3,(H2,30,37)/t17-,18-/m0/s1
Definition date:	2023-09-06
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide

UPI

UPI
Name:	3-[(1Z,9Z)-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid
Formula:	C40 H38 N4 O16
SMILES:	OC(=O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(CC(O)=O)c5CCC(O)=O)c(CC(O)=O)c4CCC(O)=O)c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O
InChi:	InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-
Synonyms:	uroporphyrin I
Definition date:	2023-02-01
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	3-[(1~{Z},9~{Z})-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid

UQX

UQX
Name:	(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
Formula:	C31 H30 N6 O3
SMILES:	CNC(=O)C1Cc2c3ccccc3[NH]c2CN1C(=O)C(Cc1cccc(C)c1)NC(=O)c1cc2cn[NH]c2cc1
InChi:	InChI=1S/C31H30N6O3/c1-18-6-5-7-19(12-18)13-26(35-29(38)20-10-11-24-21(14-20)16-33-36-24)31(40)37-17-27-23(15-28(37)30(39)32-2)22-8-3-4-9-25(22)34-27/h3-12,14,16,26,28,34H,13,15,17H2,1-2H3,(H,32,39)(H,33,36)(H,35,38)/t26-,28-/m1/s1
Definition date:	2023-09-06
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

YXJ

YXJ
Name:	5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide
Formula:	C21 H28 N6 O
SMILES:	NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCCC1
InChi:	InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26)
Definition date:	2023-03-03
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide

ZLO

ZLO
Name:	~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
Formula:	C5 H7 N3 O S2
SMILES:	CSc1nsc(NC(C)=O)n1
InChi:	InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide

ZLT

ZLT
Name:	~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
Formula:	C10 H12 N2 O3 S
SMILES:	O=C(NC(=S)N1CCOCC1)c2occc2
InChi:	InChI=1S/C10H12N2O3S/c13-9(8-2-1-5-15-8)11-10(16)12-3-6-14-7-4-12/h1-2,5H,3-4,6-7H2,(H,11,13,16)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide

ZLX

ZLX
Name:	methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Formula:	C11 H13 N O5
SMILES:	COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
InChi:	InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m0/s1
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

ZMI

ZMI
Name:	~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
Formula:	C11 H10 F N3 O2
SMILES:	Cc1onc(c1)C(=O)NNc2ccccc2F
InChi:	InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-5-3-2-4-8(9)12/h2-6,13H,1H3,(H,14,16)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

U1L

U1L
Name:	4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide
Formula:	C15 H17 N5 O3
SMILES:	C[CH](Nc1nc(nc2ccccc12)C(=O)NCC=C)C(=O)NO
InChi:	InChI=1S/C15H17N5O3/c1-3-8-16-15(22)13-18-11-7-5-4-6-10(11)12(19-13)17-9(2)14(21)20-23/h3-7,9,23H,1,8H2,2H3,(H,16,22)(H,20,21)(H,17,18,19)/t9-/m0/s1
Definition date:	2023-01-19
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide

U2C

U2C
Name:	(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
Formula:	C17 H17 Cl N4 O3
SMILES:	C[CH](Cc1nc(NCc2occc2)nc3ccc(Cl)cc13)C(=O)NO
InChi:	InChI=1S/C17H17ClN4O3/c1-10(16(23)22-24)7-15-13-8-11(18)4-5-14(13)20-17(21-15)19-9-12-3-2-6-25-12/h2-6,8,10,24H,7,9H2,1H3,(H,22,23)(H,19,20,21)/t10-/m1/s1
Definition date:	2023-01-19
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide

U2O

U2O
Name:	(2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
Formula:	C15 H17 Cl N4 O2
SMILES:	C[CH](Cc1nc(NCC=C)nc2ccc(Cl)cc12)C(=O)NO
InChi:	InChI=1S/C15H17ClN4O2/c1-3-6-17-15-18-12-5-4-10(16)8-11(12)13(19-15)7-9(2)14(21)20-22/h3-5,8-9,22H,1,6-7H2,2H3,(H,20,21)(H,17,18,19)/t9-/m1/s1
Definition date:	2023-01-20
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	(2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide

ZP8

ZP8
Name:	1-(2-cyanoethanoyl)piperidine-4-carboxamide
Formula:	C9 H13 N3 O2
SMILES:	NC(=O)C1CCN(CC1)C(=O)CC#N
InChi:	InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)
Definition date:	2023-06-29
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	1-(2-cyanoethanoyl)piperidine-4-carboxamide

ZPI

ZPI
Name:	6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile
Formula:	C13 H12 N2
SMILES:	N#Cc1cccc2c3CCCCc3[nH]c12
InChi:	InChI=1S/C13H12N2/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h3-4,6,15H,1-2,5,7H2
Definition date:	2023-06-29
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile

ZPU

ZPU
Name:	4-propan-2-yl-~{N}-pyridin-2-yl-benzamide
Formula:	C15 H16 N2 O
SMILES:	CC(C)c1ccc(cc1)C(=O)Nc2ccccn2
InChi:	InChI=1S/C15H16N2O/c1-11(2)12-6-8-13(9-7-12)15(18)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17,18)
Definition date:	2023-06-29
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	4-propan-2-yl-~{N}-pyridin-2-yl-benzamide

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數據於2024-08-07公開中

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