General Information of the Compound
| Compound ID |
CP0475952
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| Compound Name |
(4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C30H40N6O7
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| Molecular Weight |
596.685
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@@H](C1)OC
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| InChI |
InChI=1S/C30H40N6O7/c1-3-4-18-43-30(41)35-16-14-34(15-17-35)29(40)23(10-11-26(37)38)32-28(39)24-19-25(36-13-12-22(20-36)42-2)33-27(31-24)21-8-6-5-7-9-21/h5-9,19,22-23H,3-4,10-18,20H2,1-2H3,(H,32,39)(H,37,38)/t22-,23-/m0/s1
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| InChIKey |
UQSSLAGCQOGIPL-GOTSBHOMSA-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