General Information of the Compound
| Compound ID |
CP0572695
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| Compound Name |
(2S,4R)-1-[(2S)-2-[[12-[3-amino-4-[3-[(3-propan-2-ylphenyl)carbamoylamino]phenyl]indazol-1-yl]-12-oxododecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C57H71N9O6S
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| Molecular Weight |
1010.319
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| Canonical SMILES |
CC(C)c1cccc(NC(=O)Nc2cccc(c2)-c2cccc3n(nc(N)c23)C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)c1
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| InChI |
InChI=1S/C57H71N9O6S/c1-36(2)40-18-15-20-42(30-40)61-56(72)62-43-21-16-19-41(31-43)45-22-17-23-46-50(45)53(58)64-66(46)49(69)25-14-12-10-8-7-9-11-13-24-48(68)63-52(57(4,5)6)55(71)65-34-44(67)32-47(65)54(70)59-33-38-26-28-39(29-27-38)51-37(3)60-35-73-51/h15-23,26-31,35-36,44,47,52,67H,7-14,24-25,32-34H2,1-6H3,(H2,58,64)(H,59,70)(H,63,68)(H2,61,62,72)/t44-,47+,52-/m1/s1
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| InChIKey |
VTPFXZHLKQSXQP-FEDPBZRBSA-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