General Information of the Compound
| Compound ID |
CP0217312
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| Compound Name |
methyl (2S)-2-[[(2S,3S)-2-[[2-[2,3-dichloropropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
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| Structure |
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| Formula |
C31H48Cl2N4O7
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| Molecular Weight |
659.652
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)CN(CC(Cl)CCl)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
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| InChI |
InChI=1S/C31H48Cl2N4O7/c1-9-20(4)26(27(39)36-25(19(2)3)29(41)43-8)35-24(38)18-37(17-22(33)16-32)28(40)23(15-21-13-11-10-12-14-21)34-30(42)44-31(5,6)7/h10-14,19-20,22-23,25-26H,9,15-18H2,1-8H3,(H,34,42)(H,35,38)(H,36,39)/t20-,22?,23-,25-,26-/m0/s1
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| InChIKey |
VYLVSZOLTLQRCC-AOCGXCKTSA-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