General Information of the Compound
| Compound ID |
CP0507668
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-5-oxo-4-({[6-phenyl-4-(piperidin-3-yloxy)yridin-2-yl]carbonyl}amino)entanoic Acid
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| Structure |
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| Formula |
C31H41N5O7
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| Molecular Weight |
595.697
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCCNC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C31H41N5O7/c1-2-3-18-42-31(41)36-16-14-35(15-17-36)30(40)25(11-12-28(37)38)34-29(39)27-20-24(43-23-10-7-13-32-21-23)19-26(33-27)22-8-5-4-6-9-22/h4-6,8-9,19-20,23,25,32H,2-3,7,10-18,21H2,1H3,(H,34,39)(H,37,38)/t23?,25-/m0/s1
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| InChIKey |
FFZHYNVVWWUWQW-YNMFNDETSA-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