ROCK
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水仙环素CAS号: 29477-83-6分子式: C14H13NO7 分子量: 307.26IUPAC Name: (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-oneSMILES: C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)OInChIKey: LZAZURSABQIKGB-AEKGRLRDSA-NInChI: 1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
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RKI-1447,ROCK1和ROCK2抑制剂CAS号: 1342278-01-6 Compound CID : 60138149分子式: C16H14N4O2S 分子量: 326.37IUPAC Name: 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)ureaSMILES: C1=CC(=CC(=C1)O)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3InChIKey: GDVRVPIXWXOKQO-UHFFFAOYSA-NInChI: 1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
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KD025(SLx-2119),ROCK2抑制剂CAS号: 911417-87-3分子式: C26H24N6O2 分子量: 452.51IUPAC Name: 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamideSMILES: CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5InChIKey: GKHIVNAUVKXIIY-UHFFFAOYSA-NInChI: 1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)
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盐酸法舒地尔CAS号: 105628-07-7分子式: C14H17N3O2S·HCl 分子量: 327.83IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochlorideSMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.ClInChIKey: LFVPBERIVUNMGV-UHFFFAOYSA-NInChI: 1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H
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法舒地尔CAS号: 103745-39-7分子式: C14H17N3O2S 分子量: 291.37IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinolineSMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-NInChI: 1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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GSK429286A,ROCK1和ROCK2抑制剂CAS号: 864082-47-3分子式: C21H16F4N4O2 分子量: 432.37IUPAC Name: N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamideSMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)FInChIKey: OLIIUAHHAZEXEX-UHFFFAOYSA-NInChI: 1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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H-1152,ROCK 抑制剂CAS号: 451462-58-1分子式: C16H21N3O2S 分子量: 319.42IUPAC Name: 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinolineSMILES: CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)CInChIKey: AWDORCFLUJZUQS-ZDUSSCGKSA-NInChI: 1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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羟基法舒地尔CAS号: 105628-72-6分子式: C14H17N3O3S 分子量: 307.37IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-oneSMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=OInChIKey: ZAVGJDAFCZAWSZ-UHFFFAOYSA-NInChI: 1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
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1-(5-异喹啉磺酰基)哌嗪盐酸盐CAS号: 141543-63-7分子式: C13H16ClN3O2S 分子量: 313.8IUPAC Name: 5-piperazin-1-ylsulfonylisoquinoline;hydrochlorideSMILES: C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.ClInChIKey: MBZNIYPWRIDBOD-UHFFFAOYSA-NInChI: 1S/C13H15N3O2S.ClH/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13;/h1-5,10,14H,6-9H2;1H
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H 1152二盐酸盐CAS号: 871543-07-6 Compound CID : 11560225分子式: C16H23Cl2N3O2S 分子量: 392.34IUPAC Name: 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;dihydrochlorideSMILES: CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C.Cl.ClInChIKey: BFOPDSJOLUQULZ-GXKRWWSZSA-NInChI: 1S/C16H21N3O2S.2ClH/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2;;/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3;2*1H/t13-;;/m0../s1
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HA 1100盐酸盐(羟基法舒地尔盐酸盐)CAS号: 155558-32-0分子式: C14H18ClN3O3S 分子量: 343.83IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one;hydrochlorideSMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O.ClInChIKey: XWWFOUVDVJGNNG-UHFFFAOYSA-NInChI: 1S/C14H17N3O3S.ClH/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17;/h1,3-5,7,15H,2,6,8-10H2,(H,16,18);1H
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1-(5-异喹啉磺酰基)哌嗪CAS号: 84468-24-6分子式: C13H15N3O2S 分子量: 277.34IUPAC Name: 5-piperazin-1-ylsulfonylisoquinolineSMILES: C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3InChIKey: UPTYCYWTFGTCCG-UHFFFAOYSA-NInChI: 1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2
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