General Information of the Compound
| Compound ID |
CP0514327
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(1-isopropylpiperidin-4-yl)xy]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
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| Structure |
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| Formula |
C34H47N5O7
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| Molecular Weight |
637.778
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(CC2)C(C)C)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H47N5O7/c1-4-5-21-45-34(44)39-19-17-38(18-20-39)33(43)28(11-12-31(40)41)36-32(42)30-23-27(22-29(35-30)25-9-7-6-8-10-25)46-26-13-15-37(16-14-26)24(2)3/h6-10,22-24,26,28H,4-5,11-21H2,1-3H3,(H,36,42)(H,40,41)/t28-/m0/s1
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| InChIKey |
BXHZXVQXVWMBRV-NDEPHWFRSA-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