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X6D
X6D
表記:6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE
組成式:C28 H30 Br Cl N6 O
SMILES:Clc1ccc(cc1)CN6CCN(c2c(Br)cnc3nc(nc23)c4ccc(cc4)CN5CCOCC5)CC6
InChi:InChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33)
別名:CTT137444
定義日:2010-02-17
最終更新日:2020-06-17
識別子（ID）:6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3H-imidazo[4,5-b]pyridine
74T
74T
表記:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate
組成式:C38 H53 N5 O7 S2
SMILES:O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c4ccc5nc(sc5c4)NC7CCN(C6CCCC6)CC7
InChi:InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1
別名:TMC310911
定義日:2011-03-22
最終更新日:2020-06-17
識別子（ID）:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
JQV
JQV
表記:Mycalolide B
組成式:C52 H76 N4 O17 S
SMILES:n2c3c1nc(co1)C(C(C(CC(CC(CC(=O)OC(C(C(CC=Cc4nc(c2oc3)co4)OC)C)CC(C(CCC(OC(C(COC)OC)=O)C(C)C(C(C=[C@H]N(C=O)C)C)OC(C)=O)C)OC)O)S)=O)C)OC
InChi:InChI=1S/C52H76N4O17S/c1-29(16-17-42(73-52(62)45(66-11)27-63-8)33(5)48(71-34(6)58)30(2)18-19-56(7)28-57)43(65-10)23-44-32(4)41(64-9)14-13-15-46-53-38(25-68-46)50-55-39(26-70-50)51-54-37(24-69-51)49(67-12)31(3)40(60)22-36(74)20-35(59)21-47(61)72-44/h13,15,18-19,24-26,28-33,35-36,41-45,48-49,59,74H,14,16-17,20-23,27H2,1-12H3/b15-13+,19-18+/t29-,30+,31-,32+,33-,35-,36-,41-,42+,43-,44-,45+,48+,49-/m0/s1
別名:MycB
定義日:2018-09-17
最終更新日:2020-06-17
公開日:2018-11-21
識別子（ID）:(1E,3R,4R,5S,6R,9S,10S)-4-(acetyloxy)-1-[formyl(methyl)amino]-11-[(10S,11R,14S,16R,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-14-sulfanyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl (2R)-2,3-dimethoxypropanoate
LBV
LBV
表記:3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid
組成式:C33 H37 N4 O6
SMILES:CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m0/s1
別名:2(R),3(E)- PHYTOCHROMOBILIN
定義日:2006-12-22
最終更新日:2020-06-17
識別子（ID）:3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
83H
83H
表記:8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one
組成式:C21 H24 N4 O
SMILES:O=C3N(c2cc1c5c(nc1cc2C3(C)C)c4nnc(c4CCC5)C)CC
InChi:InChI=1S/C21H24N4O/c1-5-25-17-9-14-13-8-6-7-12-11(2)23-24-19(12)18(13)22-16(14)10-15(17)21(3,4)20(25)26/h9-10,22H,5-8H2,1-4H3,(H,23,24)
別名:8-Ethyl-2,5,6,12-tetrahydro-3,10,10-trimethyl-9-oxo-pyrazolo[4'3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indole
定義日:2008-04-02
最終更新日:2020-06-17
識別子（ID）:8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one
LMJ
LMJ
表記:(5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one
組成式:C21 H23 Br Cl N3 O
SMILES:C5(C)(C1CC32C(NC1(CN2CCC3)Cc6c4c(cc(c(c4)Cl)Br)nc56)=O)C
InChi:InChI=1S/C21H23BrClN3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-14(23)13(22)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1
別名:isomalbrancheamide D
定義日:2019-03-04
最終更新日:2020-06-17
公開日:2019-08-07
識別子（ID）:(5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
LMN
LMN
表記:Lauryl Maltose Neopentyl Glycol
組成式:C47 H88 O22
SMILES:O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO
InChi:InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-/m0/s1
別名:2,2-didecylpropane-1,3-bis-b-D-maltopyranoside
定義日:2012-09-12
最終更新日:2020-06-17
公開日:2012-11-30
識別子（ID）:2-decyl-2-({[4-O-(alpha-L-glucopyranosyl)-beta-L-mannopyranosyl]oxy}methyl)dodecyl 4-O-alpha-L-glucopyranosyl-beta-L-glucopyranoside
LPP
LPP
表記:2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE
組成式:C35 H69 O8 P
SMILES:O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O
InChi:InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1
別名:1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE
定義日:2000-12-14
最終更新日:2020-06-17
識別子（ID）:(2R)-3-(phosphonooxy)propane-1,2-diyl dihexadecanoate
9TG
9TG
表記:3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
組成式:C15 H16 B N O5 S
SMILES:c2c(C(=O)O)cc(CC(B(O)O)NC(=O)Cc1cccs1)cc2
InChi:InChI=1S/C15H16BNO5S/c18-14(9-12-5-2-6-23-12)17-13(16(21)22)8-10-3-1-4-11(7-10)15(19)20/h1-7,13,21-22H,8-9H2,(H,17,18)(H,19,20)/t13-/m0/s1
別名:boronic acid transition state inhibitor EC04
定義日:2017-06-07
最終更新日:2020-06-17
公開日:2017-11-29
識別子（ID）:3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
9TJ
9TJ
表記:3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
組成式:C17 H17 B N4 O5 S
SMILES:C(B(O)O)(Cn2cc(c1cccc(c1)C(O)=O)nn2)NC(=O)Cc3sccc3
InChi:InChI=1S/C17H17BN4O5S/c23-16(8-13-5-2-6-28-13)19-15(18(26)27)10-22-9-14(20-21-22)11-3-1-4-12(7-11)17(24)25/h1-7,9,15,26-27H,8,10H2,(H,19,23)(H,24,25)/t15-/m0/s1
別名:boronic acid transition state inhibitor S03043
定義日:2017-06-07
最終更新日:2020-06-17
公開日:2017-11-29
識別子（ID）:3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
M4Y
M4Y
表記:parthenolide
組成式:C15 H20 O3
SMILES:C1(=C)C(=O)OC2C3C(C)(CCC=C(C)CCC12)O3
InChi:InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1
別名:(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1 aH)-one
定義日:2019-03-25
最終更新日:2020-06-17
公開日:2019-06-26
識別子（ID）:(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
1ST
1ST
表記:(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE
組成式:C28 H24 N4 O4
SMILES:O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7cc(O)ccc67)CC(NC)C8OC)C
InChi:InChI=1S/C28H24N4O4/c1-28-26(35-3)17(29-2)11-20(36-28)31-18-9-8-13(33)10-15(18)22-23-16(12-30-27(23)34)21-14-6-4-5-7-19(14)32(28)25(21)24(22)31/h4-10,12,17,20,26,29,33H,11H2,1-3H3/t17-,20-,26-,28+/m1/s1
別名:3-HYDROXYSTAUROSPORINE
定義日:2006-08-07
最終更新日:2020-06-17
識別子（ID）:(5S,6R,7R,9R)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
MK3
MK3
表記:6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide
組成式:C20 H15 N5 O2 S
SMILES:Nc1nccc(Nc2ccc(O)c(c2)c3ccc4cc(sc4c3)C(=O)N=C)n1
InChi:InChI=1S/C20H15N5O2S/c1-22-19(27)17-9-12-3-2-11(8-16(12)28-17)14-10-13(4-5-15(14)26)24-18-6-7-23-20(21)25-18/h2-10,26H,1H2,(H3,21,23,24,25)
別名:6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
定義日:2009-10-21
最終更新日:2020-06-17
識別子（ID）:6-[5-[(2-azanylpyrimidin-4-yl)amino]-2-hydroxy-phenyl]-N-methylidene-1-benzothiophene-2-carboxamide
1WU
1WU
表記:6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol
組成式:C14 H13 B F N O3
SMILES:Fc3cc(ccc3Oc2ccc1c(B(O)OC1)c2)CN
InChi:InChI=1S/C14H13BFNO3/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11/h1-6,18H,7-8,17H2
別名:6-[4-(aminomethyl)-2-fluorophenoxy]benzo[c][1,2]oxaborol-1(3H)-ol
定義日:2013-07-12
最終更新日:2020-06-17
公開日:2013-10-02
識別子（ID）:6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol
1YK
1YK
表記:territrem B
組成式:C29 H34 O9
SMILES:O=C4OC(c1cc(OC)c(OC)c(OC)c1)=CC=5OC3(C(O)(C2(C(=O)C=CC(C2(O)CC3)(C)C)C)CC4=5)C
InChi:InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1
別名:(4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H, 11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione
定義日:2013-08-05
最終更新日:2020-06-17
公開日:2013-10-16
識別子（ID）:(4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione
20A
20A
表記:1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
組成式:C21 H25 N5 O2
SMILES:O=C(NCc1ccccc1)c2c(c3c(nc2)n(nc3)CC)NC4CCOCC4
InChi:InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27)
別名:N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
定義日:2008-05-17
最終更新日:2020-06-17
識別子（ID）:N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
7MI
7MI
表記:methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate
組成式:C26 H34 O8
SMILES:COC(=O)[C]1(C)OC(=O)[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3CC(=C)[C]2(C)C1=O
InChi:InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1
別名:methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,6,8-tetraoxohexadecahydro-2H-n aphtho[1,2-h]isochromene-2-carboxylate
定義日:2016-12-06
最終更新日:2020-06-17
公開日:2017-07-26
識別子（ID）:methyl (2~{S},4~{a}~{R},4~{b}~{S},5~{S},6~{a}~{S},10~{a}~{S},10~{b}~{S},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-5,6~{a},9,10,10~{b},11-hexahydro-4~{a}~{H}-naphtho[1,2-h]isochromene-2-carboxylate
MXP
MXP
表記:Myxopyronin B
組成式:C23 H31 N O6
SMILES:O=C(C1=C(O)C=C(OC1=O)CCCC=CNC(=O)OC)C(=CC=C(/C)CCCC)C
InChi:InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h9,12-15,25H,5-8,10-11H2,1-4H3,(H,24,28)/b14-9+,16-12+,17-13+
別名:methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate
定義日:2008-10-16
最終更新日:2020-06-17
識別子（ID）:methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate
N34
N34
表記:N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide
組成式:C21 H29 N5 O6 S2
SMILES:O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C4N(N(C3=O)CCC(C)(C)C)CCC4)C
InChi:InChI=1S/C21H29N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h7-8,12,15,23,27H,5-6,9-11H2,1-4H3,(H,22,24)/t15-/m0/s1
別名:N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1, 2,4-benzothiadiazin-7-yl}methanesulfonamide
定義日:2008-05-01
最終更新日:2020-06-17
識別子（ID）:N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
3YI
3YI
表記:(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
組成式:C38 H47 N O13
SMILES:c1(c4c(O)c(c3OC2(OC=CC(OC)C(C(OC(=O)C)C(C(O)C(C(O)C(C=CC=C(C(Nc1c(c(O)c4c3C2=O)C=O)=O)C)C)C)C)C)C)C)O
InChi:InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1
別名:3-formyl rifamycin SV
定義日:2017-10-26
最終更新日:2020-06-17
公開日:2018-07-18
識別子（ID）:(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
NG7
NG7
表記:3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide
組成式:C31 H31 F3 N6 O2 S
SMILES:FC(F)(F)c1cc(ccc1CN2CCN(CC)CC2)NC(=O)c6cc(c3nc4sc(nc4cc3)NC(=O)C5CC5)ccc6
InChi:InChI=1S/C31H31F3N6O2S/c1-2-39-12-14-40(15-13-39)18-22-8-9-23(17-24(22)31(32,33)34)35-28(42)21-5-3-4-20(16-21)25-10-11-26-29(36-25)43-30(37-26)38-27(41)19-6-7-19/h3-5,8-11,16-17,19H,2,6-7,12-15,18H2,1H3,(H,35,42)(H,37,38,41)
別名:HG-7-85-01
定義日:2012-02-02
最終更新日:2020-06-17
識別子（ID）:3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
0ZC
0ZC
表記:(3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
組成式:C23 H25 N3 O5
SMILES:O=C(NC(C(=O)N3C(C(=O)O)Cc2c1ccccc1nc2C3)CC(C)C)c4occc4
InChi:InChI=1S/C23H25N3O5/c1-13(2)10-17(25-21(27)20-8-5-9-31-20)22(28)26-12-18-15(11-19(26)23(29)30)14-6-3-4-7-16(14)24-18/h3-9,13,17,19,24H,10-12H2,1-2H3,(H,25,27)(H,29,30)/t17-,19-/m0/s1
別名:Furoyl-LeusycloTrp
定義日:2008-08-05
最終更新日:2020-06-17
識別子（ID）:(3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
0ZE
0ZE
表記:[[[(4S,5S)-4-[[(3S,6S,8aR)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium
組成式:C29 H38 N7 O3 S
SMILES:O=C4N1C(CCC1C(=O)NC(CCCNC(=[NH2+])N)C(O)c2nc3ccccc3s2)CCC4(N)Cc5ccccc5
InChi:InChI=1S/C29H37N7O3S/c30-28(31)33-16-6-10-21(24(37)26-35-20-9-4-5-11-23(20)40-26)34-25(38)22-13-12-19-14-15-29(32,27(39)36(19)22)17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21-22,24,37H,6,10,12-17,32H2,(H,34,38)(H4,30,31,33)/p+1/t19-,21+,22+,24+,29+/m1/s1
別名:MOL-168
定義日:2008-08-05
最終更新日:2020-06-17
識別子（ID）:amino{[(4S,5S)-4-({[(3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizin-3-yl]carbonyl}amino)-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]amino}methaniminium (non-preferred name)
NRH
NRH
表記:Norharmane
組成式:C11 H8 N2
SMILES:n3ccc2c1c(cccc1)nc2c3
InChi:InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
別名:9H-beta-carboline
定義日:2013-04-25
最終更新日:2020-06-17
公開日:2013-05-22
識別子（ID）:9H-beta-carboline
547
547
表記:2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE
組成式:C25 H26 N4 O
SMILES:n1ccc(c2c1oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5
InChi:InChI=1S/C25H26N4O/c1-3-7-19(8-4-1)22-23-21(27-15-18-29-16-13-26-14-17-29)11-12-28-25(23)30-24(22)20-9-5-2-6-10-20/h1-12,26H,13-18H2,(H,27,28)
別名:FURANOPYRIDINE 8
定義日:2007-01-12
最終更新日:2020-06-17
識別子（ID）:2,3-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine

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