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J00
J00
表記:2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid
組成式:C10 H9 B O4
SMILES:OB1O[CH](C(=C)C(O)=O)c2ccccc12
InChi:InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m1/s1
別名:(S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
定義日:2021-03-08
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:2-[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid
J0F
J0F
表記:5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine
組成式:C10 H12 Br N3
SMILES:CCCc1[nH]c2nc(C)ncc2c1Br
InChi:InChI=1S/C10H12BrN3/c1-3-4-8-9(11)7-5-12-6(2)13-10(7)14-8/h5H,3-4H2,1-2H3,(H,12,13,14)
定義日:2021-03-10
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:5-bromanyl-2-methyl-6-propyl-7~{H}-pyrrolo[2,3-d]pyrimidine
J0L
J0L
表記:3,3-dimethyl-7-(methylamino)-1H-indol-2-one
組成式:C11 H14 N2 O
SMILES:CNc1cccc2c1NC(=O)C2(C)C
InChi:InChI=1S/C11H14N2O/c1-11(2)7-5-4-6-8(12-3)9(7)13-10(11)14/h4-6,12H,1-3H3,(H,13,14)
定義日:2021-03-10
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:3,3-dimethyl-7-(methylamino)-1~{H}-indol-2-one
LMO
LMO
表記:dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
組成式:C24 H46 O11
SMILES:C(OC1C(C(C(C(CO)O1)O)O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O
InChi:InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(30)20(29)18(27)16(35-23)14-33-24-22(31)19(28)17(26)15(13-25)34-24/h15-31H,2-14H2,1H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1
別名:DDMB
定義日:2020-12-21
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
H6U
H6U
表記:2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide
組成式:C21 H24 N4 O2 S
SMILES:Nc1scc(CC(=O)Nc2ccc(CCNC[CH](O)c3ccccc3)cc2)n1
InChi:InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
定義日:2020-11-20
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:2-(2-azanyl-1,3-thiazol-4-yl)-~{N}-[4-[2-[[(2~{R})-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide
HUU
HUU
表記:6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
組成式:C29 H28 Cl F3 N4 O2
SMILES:CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5
InChi:InChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33/h3-12,18,21H,2,13-17H2,1H3,(H,34,38)
別名:Telacebec
定義日:2021-02-04
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:6-chloranyl-2-ethyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
6ID
6ID
表記:~{N}-[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide
組成式:C61 H112 N34 O9
SMILES:NC(=N)NCCC[CH](NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2ncnc3[nH]ccc23)C(N)=O
InChi:InChI=1S/C61H112N34O9/c62-46(98)37(13-6-23-78-55(63)64)88-50(100)39(15-8-25-80-57(67)68)90-52(102)41(17-10-27-82-59(71)72)92-54(104)43(19-12-29-84-61(75)76)93-53(103)42(18-11-28-83-60(73)74)91-51(101)40(16-9-26-81-58(69)70)89-49(99)38(14-7-24-79-56(65)66)87-44(96)20-4-2-1-3-5-21-45(97)94-31-33-95(34-32-94)48-36-22-30-77-47(36)85-35-86-48/h22,30,35,37-43H,1-21,23-29,31-34H2,(H2,62,98)(H,87,96)(H,88,100)(H,89,99)(H,90,102)(H,91,101)(H,92,104)(H,93,103)(H4,63,64,78)(H4,65,66,79)(H4,67,68,80)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H,77,85,86)/t37-,38-,39-,40-,41-,42-,43-/m1/s1
定義日:2021-07-27
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:~{N}-[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-azanyl-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide
05X
05X
表記:2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide
組成式:C19 H18 F3 N3 O2
SMILES:CN1CCC(CC1)C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2
InChi:InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)
定義日:2021-06-04
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:2,4,6-tris(fluoranyl)-~{N}-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide
07I
07I
表記:Spliceostatin E (form I)
組成式:C26 H37 N O6
SMILES:C[CH]1C[CH](NC(=O)C=C[CH](C)OC(C)=O)[CH](C)O[CH]1CC=C(C)C=C[CH]2CC(=CC(=O)O2)C
InChi:InChI=1S/C26H37NO6/c1-16(7-10-22-13-17(2)14-26(30)33-22)8-11-24-18(3)15-23(20(5)32-24)27-25(29)12-9-19(4)31-21(6)28/h7-10,12,14,18-20,22-24H,11,13,15H2,1-6H3,(H,27,29)/b10-7+,12-9-,16-8+/t18-,19-,20+,22+,23+,24-/m0/s1
別名:[(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(2S)-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate
定義日:2021-06-01
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:[(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-2,5-dimethyl-6-[(2~{E},4~{E})-3-methyl-5-[(2~{S})-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate
QPZ
QPZ
表記:1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide
組成式:C18 H18 N2 O3 S
SMILES:CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3
InChi:InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-15(11-16(13)17)24(22,23)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3
定義日:2020-07-22
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide
QRB
QRB
表記:1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide
組成式:C18 H19 N3 O3
SMILES:NC(=O)c1ccc2N(CCCc2c1)Cc3ccc(cc3)C(=O)NO
InChi:InChI=1S/C18H19N3O3/c19-17(22)15-7-8-16-14(10-15)2-1-9-21(16)11-12-3-5-13(6-4-12)18(23)20-24/h3-8,10,24H,1-2,9,11H2,(H2,19,22)(H,20,23)
定義日:2020-07-29
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide
RW8
RW8
表記:methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
組成式:C13 H15 N O3
SMILES:COC(=O)CCC(=O)N1CCc2ccccc12
InChi:InChI=1S/C13H15NO3/c1-17-13(16)7-6-12(15)14-9-8-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3
定義日:2020-10-27
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
RXE
RXE
表記:~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
組成式:C23 H22 Br4 Cl2 N4 O2
SMILES:Clc1ccc(CCNC(=O)CCC(=O)NCCCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)cc1Cl
InChi:InChI=1S/C23H22Br4Cl2N4O2/c24-18-19(25)21(27)23-22(20(18)26)32-12-33(23)10-2-1-8-30-16(34)5-6-17(35)31-9-7-13-3-4-14(28)15(29)11-13/h3-4,11-12H,1-2,5-10H2,(H,30,34)(H,31,35)
別名:KN2
定義日:2020-10-29
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
USE
USE
表記:Orientin
組成式:C21 H20 O11
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)c(O)c4
InChi:InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
別名:2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one
定義日:2021-03-12
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one
V9H
V9H
表記:3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
組成式:C20 H26 N4 O3
SMILES:CNC(=O)c1cc(n(n1)[CH](C)c2ccccc2)C(=O)N[CH]3CC[CH](O)CC3
InChi:InChI=1S/C20H26N4O3/c1-13(14-6-4-3-5-7-14)24-18(12-17(23-24)19(26)21-2)20(27)22-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,25H,8-11H2,1-2H3,(H,21,26)(H,22,27)/t13-,15-,16-/m0/s1
別名:N5-((1r,4S)-4-hydroxycyclohexyl)-N3-methyl-1-((S)-1-phenylethyl)-1H-pyrazole-3,5-dicarboxamide
定義日:2021-05-01
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:~{N}3-methyl-~{N}5-(4-oxidanylcyclohexyl)-1-[(1~{S})-1-phenylethyl]pyrazole-3,5-dicarboxamide
V9K
V9K
表記:2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
組成式:C21 H26 N2 O4
SMILES:CNC(=O)c1oc([CH](C)c2ccccc2)c(c1)C(=O)N[CH]3CC[CH](O)CC3
InChi:InChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15-,16-/m0/s1
別名:N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide
定義日:2021-05-01
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:~{N}2-methyl-~{N}4-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethyl]furan-2,4-dicarboxamide
V9N
V9N
表記:(3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
組成式:C23 H24 N2 O4
SMILES:CNC(=O)c1cc(cc2c1OC[C]2(C)c3ccccc3)C(=O)NC4[CH]5COC[CH]45
InChi:InChI=1S/C23H24N2O4/c1-23(14-6-4-3-5-7-14)12-29-20-15(22(27)24-2)8-13(9-18(20)23)21(26)25-19-16-10-28-11-17(16)19/h3-9,16-17,19H,10-12H2,1-2H3,(H,24,27)(H,25,26)/t16-,17+,19+,23-/m0/s1
別名:rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide
定義日:2021-05-02
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:(3~{S})-~{N}7,3-dimethyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2~{H}-1-benzofuran-5,7-dicarboxamide
V9Q
V9Q
表記:(3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
組成式:C24 H23 N3 O4
SMILES:CNC(=O)c1cc(cc2[CH](COc12)c3cccc4[nH]ccc34)C(=O)NC5[CH]6COC[CH]56
InChi:InChI=1S/C24H23N3O4/c1-25-24(29)16-8-12(23(28)27-21-18-9-30-10-19(18)21)7-15-17(11-31-22(15)16)13-3-2-4-20-14(13)5-6-26-20/h2-8,17-19,21,26H,9-11H2,1H3,(H,25,29)(H,27,28)/t17-,18-,19+,21+/m0/s1
別名:N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide
定義日:2021-05-02
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:(3~{S})-3-(1~{H}-indol-4-yl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
UTG
UTG
表記:N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
組成式:C12 H11 Cl N2 O S
SMILES:c1cccc(c1NC(NCc2ccco2)=S)Cl
InChi:InChI=1S/C12H11ClN2OS/c13-10-5-1-2-6-11(10)15-12(17)14-8-9-4-3-7-16-9/h1-7H,8H2,(H2,14,15,17)
定義日:2020-06-01
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
XNG
XNG
表記:4-(decanoylamino)butanoic acid
組成式:C14 H27 N O3
SMILES:C(CCC(=O)O)NC(CCCCCCCCC)=O
InChi:InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)
定義日:2020-12-22
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:4-(decanoylamino)butanoic acid
VCD
VCD
表記:4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole
組成式:C21 H24 N4 O3 S
SMILES:C5OCC(C)N(c4cc(C1(S(C)(=O)=O)CC1)nc(c2cccc3c2ccn3)n4)C5
InChi:InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
定義日:2020-07-27
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole
Z7S
Z7S
表記:N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
組成式:C9 H18 N2 O5
SMILES:OC1C(O)C(NC(C)=O)C(CO)NC1CO
InChi:InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6-,7+,8-,9-/m1/s1
定義日:2021-04-12
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
Z8V
Z8V
表記:N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
組成式:C9 H18 N2 O5
SMILES:OC1C(O)C(NC(C)=O)C(CO)NC1CO
InChi:InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6+,7-,8+,9+/m0/s1
定義日:2021-04-12
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
VE5
VE5
表記:N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
組成式:C16 H18 N4 O2
SMILES:CNC(=O)c1cc(n(Cc2ccccc2)n1)C(=O)NC3CC3
InChi:InChI=1S/C16H18N4O2/c1-17-15(21)13-9-14(16(22)18-12-7-8-12)20(19-13)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,21)(H,18,22)
別名:1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide
定義日:2021-05-07
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:~{N}5-cyclopropyl-~{N}3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
Y6P
Y6P
表記:7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid
組成式:C13 H11 N3 O2
SMILES:Cc1cccc2c1[nH]c(C(O)=O)c2c3c[nH]nc3
InChi:InChI=1S/C13H11N3O2/c1-7-3-2-4-9-10(8-5-14-15-6-8)12(13(17)18)16-11(7)9/h2-6,16H,1H3,(H,14,15)(H,17,18)
定義日:2021-02-08
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid

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件を2024-07-10に公開中

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