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GDF
GDF
表記:Vinorelbine
組成式:C45 H54 N4 O8
SMILES:CCC1=C[CH]2C[N](C1)Cc3c([nH]c4ccccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC
InChi:InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38-,39+,42+,43+,44-,45-/m0/s1
定義日:2020-08-19
最終更新日:2021-07-30
公開日:2021-08-04
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
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
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
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
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
SJT
SJT
表記:spliceostatin A (form II)
組成式:C28 H45 N O8
SMILES:CO[C]1(C)C[C](C)(O)[CH](O)[CH](O1)C=CC(C)=CC[CH]2O[CH](C)[CH](C[CH]2C)NC(=O)C=C[CH](C)OC(C)=O
InChi:InChI=1S/C28H45NO8/c1-17(10-13-24-26(32)27(6,33)16-28(7,34-8)37-24)9-12-23-18(2)15-22(20(4)36-23)29-25(31)14-11-19(3)35-21(5)30/h9-11,13-14,18-20,22-24,26,32-33H,12,15-16H2,1-8H3,(H,29,31)/b13-10+,14-11-,17-9+/t18-,19-,20+,22+,23-,24+,26+,27-,28-/m0/s1
別名:[(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate
定義日:2020-11-20
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})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate
SQW
SQW
表記:propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
組成式:C15 H17 N O3
SMILES:CC(C)OC(=O)CCC(=O)n1ccc2ccccc12
InChi:InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3
定義日:2020-11-30
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
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
TQG
TQG
表記:N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid
組成式:C14 H15 N O8
SMILES:O=C(O)CCC(C(O)=O)NC(COc1cccc(c1)C(O)=O)=O
InChi:InChI=1S/C14H15NO8/c16-11(15-10(14(21)22)4-5-12(17)18)7-23-9-3-1-2-8(6-9)13(19)20/h1-3,6,10H,4-5,7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t10-/m0/s1
定義日:2020-03-26
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid
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
TK9
TK9
表記:(2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
組成式:C21 H22 F3 N O4
SMILES:CC[CH](Cc1ccc(cc1)C(=O)NCc2ccc(OC)cc2C(F)(F)F)C(O)=O
InChi:InChI=1S/C21H22F3NO4/c1-3-14(20(27)28)10-13-4-6-15(7-5-13)19(26)25-12-16-8-9-17(29-2)11-18(16)21(22,23)24/h4-9,11,14H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t14-/m1/s1
定義日:2020-09-01
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:(2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
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
UTB
UTB
表記:1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione
組成式:C27 H20 N2 O5
SMILES:OC[CH]1O[CH](C[CH]1O)N2C=C(C#Cc3ccc4ccc5cccc6ccc3c4c56)C(=O)NC2=O
InChi:InChI=1S/C27H20N2O5/c30-14-22-21(31)12-23(34-22)29-13-19(26(32)28-27(29)33)9-5-15-4-6-18-8-7-16-2-1-3-17-10-11-20(15)25(18)24(16)17/h1-4,6-8,10-11,13,21-23,30-31H,12,14H2,(H,28,32,33)/t21-,22+,23+/m0/s1
定義日:2021-03-17
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione
VL5
VL5
表記:(2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
組成式:C25 H34 N8 O10 S2
SMILES:CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=NO[CH](COc1ccc(cc1)C(=N)N[CH]2CCCNC2)C(O)=O)c3csc(N)n3)C=O
InChi:InChI=1S/C25H34N8O10S2/c1-25(2,33-43-45(38,39)40)19(11-34)31-22(35)20(17-13-44-24(27)30-17)32-42-18(23(36)37)12-41-16-7-5-14(6-8-16)21(26)29-15-4-3-9-28-10-15/h5-8,11,13,15,18-19,28,33H,3-4,9-10,12H2,1-2H3,(H2,26,29)(H2,27,30)(H,31,35)(H,36,37)(H,38,39,40)/b32-20-/t15-,18+,19-/m1/s1
別名:AIC499 (bound)
定義日:2021-05-27
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:(2~{S})-2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[~{N}-[(3~{R})-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
VN1
VN1
表記:4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide
組成式:C22 H33 N9 O2
SMILES:CC(C(c1cn(CCCCN)nn1)n2cc(nn2)COc3c(cc(/C(N)=N)cc3)OC)CC
InChi:InChI=1S/C22H33N9O2/c1-4-15(2)21(18-13-30(28-27-18)10-6-5-9-23)31-12-17(26-29-31)14-33-19-8-7-16(22(24)25)11-20(19)32-3/h7-8,11-13,15,21H,4-6,9-10,14,23H2,1-3H3,(H3,24,25)/t15-,21-/m0/s1
定義日:2020-08-28
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide
VZG
VZG
表記:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
組成式:C24 H26 N8 O4
SMILES:C(c2c(cc(NC(C1CC1)=O)nn2)Nc3c(c(ccc3)c4ccc(nn4)C(=O)N(C)C)OC)(NC)=O
InChi:InChI=1S/C24H26N8O4/c1-25-23(34)20-18(12-19(30-31-20)27-22(33)13-8-9-13)26-16-7-5-6-14(21(16)36-4)15-10-11-17(29-28-15)24(35)32(2)3/h5-7,10-13H,8-9H2,1-4H3,(H,25,34)(H2,26,27,30,33)
定義日:2020-09-24
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
VZJ
VZJ
表記:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
組成式:C21 H21 N7 O3
SMILES:COc3c(Nc2c(nnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3c4ncccn4
InChi:InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29)
定義日:2020-09-24
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
T1T
T1T
表記:7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide
組成式:C17 H12 F3 N5 O S
SMILES:FC(F)(F)c1[nH]ncc1c2nc3ccc4[nH]ncc4c3c5CC[S](=O)Cc25
InChi:InChI=1S/C17H12F3N5OS/c18-17(19,20)16-10(6-22-25-16)15-11-7-27(26)4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25)/t27-/m1/s1
定義日:2020-12-11
最終更新日:2021-07-30
公開日:2021-08-04
T2W
T2W
表記:[(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate
組成式:C27 H44 N2 O5
SMILES:CNC(=O)O[CH](C)C=CC(=O)N[CH]1CC[CH](CC1)CC=C(C)C=C[CH]2C[C](C)(O)CC(C)(C)O2
InChi:InChI=1S/C27H44N2O5/c1-19(8-15-23-17-27(5,32)18-26(3,4)34-23)7-10-21-11-13-22(14-12-21)29-24(30)16-9-20(2)33-25(31)28-6/h7-9,15-16,20-23,32H,10-14,17-18H2,1-6H3,(H,28,31)(H,29,30)/b15-8+,16-9-,19-7+/t20-,21-,22+,23+,27+/m0/s1
定義日:2020-12-14
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:[(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate
T2Z
T2Z
表記:[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
組成式:C30 H48 O9
SMILES:CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C
InChi:InChI=1S/C30H48O9/c1-8-23(33)20(4)28-24(38-28)17-29(6,35)14-9-10-18(2)27-19(3)11-12-25(37-21(5)31)30(7,36)15-13-22(32)16-26(34)39-27/h9-12,14,19-20,22-25,27-28,32-33,35-36H,8,13,15-17H2,1-7H3/b12-11+,14-9+,18-10+/t19-,20+,22+,23-,24+,25-,27+,28+,29-,30+/m0/s1
定義日:2020-12-14
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
V07
V07
表記:7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
組成式:C19 H21 F N4
SMILES:c3(n1c(c(cn1)c2ccc(cc2)F)nc(C)c3)N4CCCCCC4
InChi:InChI=1S/C19H21FN4/c1-14-12-18(23-10-4-2-3-5-11-23)24-19(22-14)17(13-21-24)15-6-8-16(20)9-7-15/h6-9,12-13H,2-5,10-11H2,1H3
別名:MAC-0547630
定義日:2020-06-09
最終更新日:2021-07-30
公開日:2021-08-04
識別子（ID）:7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

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