General Information of the Compound
| Compound ID |
CP0462276
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| Compound Name |
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(4R)-1-[6-[(4R)-4-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3,4-dihydro-2H-quinolin-1-yl]hexa-2,4-diynyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C58H80N10O6
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| Molecular Weight |
1013.342
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(CC#CC#CCN2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C58H80N10O6/c1-39(59-3)53(69)63-51(41-21-9-7-10-22-41)57(73)67-35-19-29-49(67)55(71)61-45-31-37-65(47-27-15-13-25-43(45)47)33-17-5-6-18-34-66-38-32-46(44-26-14-16-28-48(44)66)62-56(72)50-30-20-36-68(50)58(74)52(42-23-11-8-12-24-42)64-54(70)40(2)60-4/h13-16,25-28,39-42,45-46,49-52,59-60H,7-12,19-24,29-38H2,1-4H3,(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t39-,40-,45+,46+,49-,50-,51-,52-/m0/s1
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| InChIKey |
YHYIZVLBBNMIDE-RTEPGWBGSA-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