General Information of the Compound
| Compound ID |
CP0578073
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| Compound Name |
2-[[(1R)-1-[4-[5-chloro-2-[2-[2-[2-[2-[2-[2-[2-[13-[4-(ethylamino)-4-oxobutanoyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]phenyl]ethyl]-(cyclopropylmethyl)amino]-5-cyclopropyl-N-cyclopropylsulfonyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C64H78ClN9O12S2
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| Molecular Weight |
1264.966
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| Canonical SMILES |
CCNC(=O)CCC(=O)N1Cc2ccccc2-c2nnn(CCOCCOCCOCCOCCOCCOCCNC(=O)c3ccc(Cl)cc3-c3ccc(cc3)[C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(s3)C3CC3)c2-c2ccccc12
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| InChI |
InChI=1S/C64H78ClN9O12S2/c1-3-66-56(75)24-25-57(76)73-42-48-8-4-5-9-51(48)58-60(53-10-6-7-11-55(53)73)74(71-69-58)27-29-82-31-33-84-35-37-86-39-38-85-36-34-83-32-30-81-28-26-67-62(77)52-23-20-49(65)40-54(52)46-16-14-45(15-17-46)43(2)72(41-44-12-13-44)64-68-59(61(87-64)47-18-19-47)63(78)70-88(79,80)50-21-22-50/h4-11,14-17,20,23,40,43-44,47,50H,3,12-13,18-19,21-22,24-39,41-42H2,1-2H3,(H,66,75)(H,67,77)(H,70,78)/t43-/m1/s1
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| InChIKey |
LRGZLGGNFMCMMO-VZUYHUTRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound