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U0H
U0H
Name:~{N}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide
Formula:C20 H25 N3 O4
SMILES:COc1cccc(C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C)c1C
InChi:InChI=1S/C20H25N3O4/c1-13-14(9-7-11-16(13)26-5)17(24)22-23(20(2,3)4)19(25)15-10-8-12-21-18(15)27-6/h7-12H,1-6H3,(H,22,24)
Definition date:2021-01-15
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide
QEE
QEE
Name:~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate
Formula:C15 H16 N6 O3
SMILES:CC(C)(C)OC(=O)c1ccc(nc1)n2ncc(n3ccnn3)c2O
InChi:InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,22H,1-3H3
Synonyms:tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate
Definition date:2020-06-10
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate
QEQ
QEQ
Name:2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol
Formula:C13 H14 N8 O2
SMILES:Oc1n(ncc1n2ccnn2)c3cc(ncn3)N4CCOCC4
InChi:InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,22H,3-6H2
Synonyms:1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol
Definition date:2020-06-10
Last modified:2021-04-02
Release date:2021-04-07
Identifier:2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol
QT5
QT5
Name:[3-(2-methylimidazol-1-yl)phenyl]methanamine
Formula:C11 H13 N3
SMILES:Cc1nccn1c2cccc(CN)c2
InChi:InChI=1S/C11H13N3/c1-9-13-5-6-14(9)11-4-2-3-10(7-11)8-12/h2-7H,8,12H2,1H3
Definition date:2020-08-05
Last modified:2021-04-02
Release date:2021-04-07
Identifier:[3-(2-methylimidazol-1-yl)phenyl]methanamine
Y49
Y49
Name:4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid
Formula:C19 H13 N5 O4
SMILES:NC(=O)c1nc(nc2N(C(=O)Nc12)c3ccccc3)c4ccc(cc4)C(O)=O
InChi:InChI=1S/C19H13N5O4/c20-15(25)13-14-17(24(19(28)22-14)12-4-2-1-3-5-12)23-16(21-13)10-6-8-11(9-7-10)18(26)27/h1-9H,(H2,20,25)(H,22,28)(H,26,27)
Definition date:2020-04-08
Last modified:2021-04-02
Release date:2021-04-07
Identifier:4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7~{H}-purin-2-yl)benzoic acid
U3Z
U3Z
Name:(3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
Formula:C31 H30 Cl N O4
SMILES:CC(C)(O)c1ccc2c(c1)C(=O)N(Cc3ccc(cc3)C#C)[C]2(OCC4(CO)CC4)c5ccc(Cl)cc5
InChi:InChI=1S/C31H30ClNO4/c1-4-21-5-7-22(8-6-21)18-33-28(35)26-17-24(29(2,3)36)11-14-27(26)31(33,23-9-12-25(32)13-10-23)37-20-30(19-34)15-16-30/h1,5-14,17,34,36H,15-16,18-20H2,2-3H3/t31-/m1/s1
Definition date:2021-01-20
Last modified:2021-04-02
Release date:2021-04-07
Identifier:(3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
U5J
U5J
Name:[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
Formula:C13 H17 Hg N O6
SMILES:c1cc(C(=O)NCC(C[Hg]O)OC)c(cc1)OCC(O)=O
InChi:InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16
Definition date:2020-04-23
Last modified:2021-04-02
Release date:2021-04-07
Identifier:[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
U61
U61
Name:2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol
Formula:C23 H23 F N6 O4
SMILES:c1c(ccc(c1)F)c2cn(nn2)CC3C(O)C(C(C(O3)CO)O)n4cc(nn4)c5ccccc5
InChi:InChI=1S/C23H23FN6O4/c24-16-8-6-15(7-9-16)17-10-29(27-25-17)12-19-22(32)21(23(33)20(13-31)34-19)30-11-18(26-28-30)14-4-2-1-3-5-14/h1-11,19-23,31-33H,12-13H2/t19-,20+,21+,22-,23-/m0/s1
Definition date:2020-04-23
Last modified:2021-04-02
Release date:2021-04-07
Identifier:2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol
U7B
U7B
Name:2'-deoxy-2'2'-difluorodeoxycytidine
Formula:C9 H12 F2 N3 O7 P
SMILES:NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)C2(F)F
InChi:InChI=1S/C9H12F2N3O7P/c10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
Synonyms:[(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
Definition date:2021-01-27
Last modified:2021-04-02
Release date:2021-04-07
Identifier:[(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
U8Q
U8Q
Name:4-[4-(trifluoromethyl)phenoxy]piperidine
Formula:C12 H14 F3 N O
SMILES:FC(F)(F)c1ccc(OC2CCNCC2)cc1
InChi:InChI=1S/C12H14F3NO/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h1-4,11,16H,5-8H2
Definition date:2021-02-02
Last modified:2021-04-02
Release date:2021-04-07
Identifier:4-[4-(trifluoromethyl)phenoxy]piperidine
U8T
U8T
Name:6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one
Formula:C13 H14 Br N O2
SMILES:Brc1ccc2OC3(CCNCC3)CC(=O)c2c1
InChi:InChI=1S/C13H14BrNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
Definition date:2021-02-02
Last modified:2021-04-02
Release date:2021-04-07
Identifier:6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one
U9B
U9B
Name:(1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
Formula:C16 H27 N2 O4 P
SMILES:[NH3+]CCCC[C]1(C[NH+](CC[P]1(O)=O)Cc2ccccc2)C(O)=O
InChi:InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/p+2/t16-/m0/s1
Synonyms:4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
Definition date:2021-02-04
Last modified:2021-04-02
Release date:2021-04-07
Identifier:4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
U9K
U9K
Name:(1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
Formula:C20 H30 F N4 O4 P
SMILES:Cn1cncc1c2cc(F)ccc2C[NH+]3CC[P](O)(=O)[C](CCCC[NH3+])(C3)C(O)=O
InChi:InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/p+2/t20-/m0/s1
Synonyms:4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
Definition date:2021-02-07
Last modified:2021-04-02
Release date:2021-04-07
Identifier:4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
YE4
YE4
Name:N-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Formula:C23 H24 Cl N3 O3
SMILES:c4(ccc(CNC(C1=CN(C)c2ccc(cc2C1=O)CN3CCOCC3)=O)cc4)Cl
InChi:InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)
Definition date:2021-02-23
Last modified:2021-04-02
Release date:2021-04-07
Identifier:N-[(4-chlorophenyl)methyl]-1-methyl-6-[(morpholin-4-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
UG7
UG7
Name:N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide
Formula:C26 H28 F3 N5 O3 S2
SMILES:c1cc(cc(c1)c5c2c(cc(cc2)CNC(C3CNC3)=O)n(C4CCN(CC4)S(C(F)(F)F)(=O)=O)c5)C(N)=S
InChi:InChI=1S/C26H28F3N5O3S2/c27-26(28,29)39(36,37)33-8-6-20(7-9-33)34-15-22(17-2-1-3-18(11-17)24(30)38)21-5-4-16(10-23(21)34)12-32-25(35)19-13-31-14-19/h1-5,10-11,15,19-20,31H,6-9,12-14H2,(H2,30,38)(H,32,35)
Definition date:2020-05-17
Last modified:2021-04-02
Release date:2021-04-07
Identifier:N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide
F8R
F8R
Name:2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone
Formula:C28 H33 N7 O4 S
SMILES:COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccccc4[S](=O)(=O)C(C)C)c5[nH]ccc5n3
InChi:InChI=1S/C28H33N7O4S/c1-17(2)40(37,38)24-9-7-6-8-19(24)30-27-26-20(10-12-29-26)31-28(33-27)32-21-15-22-18(14-23(21)39-5)11-13-35(22)25(36)16-34(3)4/h6-10,12,14-15,17,29H,11,13,16H2,1-5H3,(H2,30,31,32,33)
Definition date:2020-04-15
Last modified:2021-04-02
Release date:2021-04-07
Identifier:2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone
FN9
FN9
Name:3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one
Formula:C20 H25 N5 O
SMILES:CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4ccn(C)c4C(=O)N3C
InChi:InChI=1S/C20H25N5O/c1-23-12-15(14-7-5-4-6-8-14)11-16(13-23)21-20-22-17-9-10-24(2)18(17)19(26)25(20)3/h4-10,15-16H,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1
Definition date:2020-06-08
Last modified:2021-04-02
Release date:2021-04-07
Identifier:3,5-dimethyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one
FNC
FNC
Name:3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:C19 H23 N5 O
SMILES:CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4cc[nH]c4C(=O)N3C
InChi:InChI=1S/C19H23N5O/c1-23-11-14(13-6-4-3-5-7-13)10-15(12-23)21-19-22-16-8-9-20-17(16)18(25)24(19)2/h3-9,14-15,20H,10-12H2,1-2H3,(H,21,22)/t14-,15+/m0/s1
Definition date:2020-06-11
Last modified:2021-04-02
Release date:2021-04-07
Identifier:3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
FVR
FVR
Name:3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:C26 H29 N5 O2
SMILES:CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4C
InChi:InChI=1S/C26H29N5O2/c1-30-15-20(19-8-10-22(11-9-19)33-17-18-6-4-3-5-7-18)14-21(16-30)28-26-29-23-12-13-27-24(23)25(32)31(26)2/h3-13,20-21,27H,14-17H2,1-2H3,(H,28,29)/t20-,21+/m0/s1
Definition date:2020-06-19
Last modified:2021-04-02
Release date:2021-04-07
Identifier:3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
JT8
JT8
Name:(3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione
Formula:C33 H48 N4 O4
SMILES:O[CH]1CC(=O)N[CH](Cc2ccccn2)C(=O)NCCCCCCCCCCCCCC(=O)N[CH]1Cc3ccccc3
InChi:InChI=1S/C33H48N4O4/c38-30-25-32(40)37-29(24-27-19-14-16-21-34-27)33(41)35-22-15-9-7-5-3-1-2-4-6-8-13-20-31(39)36-28(30)23-26-17-11-10-12-18-26/h10-12,14,16-19,21,28-30,38H,1-9,13,15,20,22-25H2,(H,35,41)(H,36,39)(H,37,40)/t28-,29-,30-/m0/s1
Definition date:2019-03-26
Last modified:2021-04-02
Release date:2021-04-07
Identifier:(3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione
LXH
LXH
Name:methyl (2~{S})-2-phenylpropanoate
Formula:C10 H12 O2
SMILES:COC(=O)[CH](C)c1ccccc1
InChi:InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m0/s1
Definition date:2019-09-27
Last modified:2021-04-02
Release date:2021-04-07
Identifier:methyl (2~{S})-2-phenylpropanoate
LY8
LY8
Name:methyl (2~{R})-2-phenylpropanoate
Formula:C10 H12 O2
SMILES:COC(=O)[CH](C)c1ccccc1
InChi:InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m1/s1
Definition date:2019-09-27
Last modified:2021-04-02
Release date:2021-04-07
Identifier:methyl (2~{R})-2-phenylpropanoate
OPW
OPW
Name:~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
Formula:C15 H13 N3 O2 S
SMILES:COc1ccc2sc(nc2c1)c3cncc(NC(C)=O)c3
InChi:InChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19)
Definition date:2020-03-26
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
OQT
OQT
Name:2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
Formula:C16 H13 F3 N2 O2 S
SMILES:N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc3ccccc23
InChi:InChI=1S/C16H13F3N2O2S/c17-11-8-12(18)15(16(14(11)19)24(20,22)23)21-13-7-3-5-9-4-1-2-6-10(9)13/h1-4,6-8,13,21H,5H2,(H2,20,22,23)/t13-/m0/s1
Synonyms:2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide
Definition date:2020-03-30
Last modified:2021-04-02
Release date:2021-04-07
Identifier:2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide
OQW
OQW
Name:2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide
Formula:C14 H19 F3 N2 O2 S
SMILES:N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2
InChi:InChI=1S/C14H19F3N2O2S/c15-10-8-11(16)13(14(12(10)17)22(18,20)21)19-9-6-4-2-1-3-5-7-9/h8-9,19H,1-7H2,(H2,18,20,21)
Synonyms:2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide
Definition date:2020-03-30
Last modified:2021-04-02
Release date:2021-04-07
Identifier:2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide

245663

數據於2025-12-03公開中

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