General Information of the Compound
| Compound ID |
CP0402063
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| Compound Name |
(4S)-4-[({4-[(Methylamino)carbonyl]-6-phenylpyridin-2-yl}carbonyl)mino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C29H37N5O7
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| Molecular Weight |
567.643
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)NC
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| InChI |
InChI=1S/C29H37N5O7/c1-3-4-8-17-41-29(40)34-15-13-33(14-16-34)28(39)22(11-12-25(35)36)32-27(38)24-19-21(26(37)30-2)18-23(31-24)20-9-6-5-7-10-20/h5-7,9-10,18-19,22H,3-4,8,11-17H2,1-2H3,(H,30,37)(H,32,38)(H,35,36)/t22-/m0/s1
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| InChIKey |
JKBZXSVPVVRKMZ-QFIPXVFZSA-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